A0A077ZB76_TRITR Loading...

Protein couch potato

AlphaFold DB , UniProt , Accession A0A077ZB76, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 378 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.4Very low38.7Very low241 Ų241143.1 Ų143.1100%1.18783%0.827SS**  0111.70-72.9170.2169.700106.9
2N41.5Very low38.4Very low171 Ų171143.2 Ų143.291%0.91482%0.822SS**  trans19.9120.9164.8-52.6-5.7000117.4
3G36.4Very low37.9Very low70 Ų70140.9 Ų140.972%0.72282%0.82SS**  cis117.67742.600000109.1
4T40.4Very low38.1Very low125 Ų125138.9 Ų138.977%0.76781%0.811SS**  77.4133.497.6-18.30000118.5
5L40.9Very low37.5Very low144 Ų144139.5 Ų139.575%0.75481%0.809SS**  trans74.4117.9154-63.6139000117.8
6T33.3Very low37.6Very low121 Ų121140.9 Ų140.974%0.74281%0.81SS**  51109.453.276.90000116
7T38.7Very low37.5Very low129 Ų129138.1 Ų138.179%0.79179%0.792SS**  trans-155.7122.1148-74.20000110.2Q9T7-Q9 HydrophobicContact CG2-CG 4.5Å
8S36.3Very low37.9Very low116 Ų116138.6 Ų138.681%0.81180%0.798SS**  trans-82.2136.9168.5-48.70000110.8
9Q41.5Very low38.3Very low175 Ų175139.1 Ų139.182%0.81879%0.792SS**  trans-160.9141.8154.3-65.1-168.9-1.100105.4T7T7-Q9 HydrophobicContact CG2-CG 4.5Å
10S37.1Very low39.5Very low97 Ų97139.6 Ų139.668%0.67879%0.787SS**  cis-168.8148.2-9.7-87.90000104D12S10-D12 PolarHBondContact O-N 3.1Å
11M38.7Very low41.5Very low185 Ų185138.1 Ų138.191%0.91177%0.774SS**  trans-77.3109.9170.7-71.3164.180.600108.8
12D35.4Very low43.8Very low144 Ų144128.2 Ų128.277%0.7773%0.727SS**  trans-107.6104.6162.6-76.5-44.6000108.8S10 V14S10-D12 PolarHBondContact O-N 3.1Å; D12-V14 PolarHBondContact O-N 2.86Å
13S32.3Very low46.1Very low114 Ų114123 Ų12380%0.79770%0.695SS**  trans-81.6104.4164.5-60.30000107.9
14V40.3Very low48.8Very low113 Ų113119.7 Ų119.769%0.68566%0.66SS**  trans-142.193.2171.9-169.50000111D12 I16D12-V14 PolarHBondContact O-N 2.86Å; V14-I16 PolarHBondContact O-N 3.35Å; V14-I16 VanDerWaalsContact O-N 3.17Å
15N29.4Very low51.4Low147 Ų147113.7 Ų113.779%0.78662%0.624SS**  trans21.481.5138.6-164.338.4000116.8N17N15-N17 PolarHBondContact O-N 2.78Å; N15-N17 VanDerWaalsContact O-N 3.14Å
16I39.8Very low53.9Low162 Ų162109.4 Ų109.483%0.83160%0.599SS**  trans-82.996.6167.8-50.4-175000107.4V14 V18V14-I16 PolarHBondContact O-N 3.35Å; V14-I16 VanDerWaalsContact O-N 3.17Å; I16-V18 PolarHBondContact O-N 3.46Å
17N35.1Very low56.7Low94 Ų94103.6 Ų103.650%0.50356%0.564SS.*  trans-37.6132.1165.7-135.52.5000109.1N15 E19N15-N17 PolarHBondContact O-N 2.78Å; N15-N17 VanDerWaalsContact O-N 3.14Å; N17-E19 HydrophobicContact CB-CB 4.42Å; N17-E19 HydrophobicContact CB-CG 3.98Å; N17-E19 PolarHBondContact ND2-OE1 3.01Å; N17-E19 PolarHBondContact O-N 2.96Å
18V44.1Very low59.1Low147 Ų14798.4 Ų98.489%0.89153%0.532SS*.  trans-69.857.3166-173.60000107.6I16 E20I16-V18 PolarHBondContact O-N 3.46Å; V18-E20 PolarHBondContact O-N 3.19Å
19E46.8Very low61.4Low147 Ų14793.6 Ų93.669%0.68750%0.501SS*.  trans-79.196.6166.8-84.2179.7-158.900105.8N17 E21N17-E19 HydrophobicContact CB-CB 4.42Å; N17-E19 HydrophobicContact CB-CG 3.98Å; N17-E19 PolarHBondContact ND2-OE1 3.01Å; N17-E19 PolarHBondContact O-N 2.96Å; E19-E21 PolarHBondContact O-N 2.94Å
20E61.8Low63.5Low149 Ų14985.5 Ų85.570%0.69646%0.463SS*.  trans-26.384.3-179.9-155.5-178.2175.700114.2V18 V22V18-E20 PolarHBondContact O-N 3.19Å; E20-V22 PolarHBondContact O-N 3.05Å
21E81Confident65.8Low109 Ų10984 Ų8451%0.50945%0.451SS..  trans-60132-178.8-170.4171.9-138.800109.9E19 R23 R76 N109E19-E21 PolarHBondContact O-N 2.94Å; E21-R23 PolarHBondContact O-N 3.46Å; E21-R76 HydrophobicContact CG-CB 3.84Å; E21-R76 VanDerWaalsContact CG-CD 3.45Å; E21-R76 HydrophobicContact CG-CG 4.2Å; E21-R76 WeakPolarHBondContact OE1-CD 3.29Å; E21-R76 IonicContact OE1-CZ 3.35Å; E21-R76 IonicContact OE1-NE 3.93Å; E21-R76 IonicContact OE1-NH1 3.5Å; E21-R76 PolarHBondContact OE1-NH1 3.41Å; E21-R76 WeakPolarHBondContact OE2-CB 3.2Å; E21-N109 PolarHBondContact O-ND2 2.94Å
22V88.2Confident67.9Low34 Ų3480 Ų8021%0.20643%0.433CS..  trans-71111.2-174.4-175.90000109.7E20 T24 F105 A106 N109E20-V22 PolarHBondContact O-N 3.05Å; V22-T24 WeakPolarHBondContact CG1-O 3.46Å; V22-F105 HydrophobicContact CB-CD1 4.25Å; V22-F105 HydrophobicContact CG1-CB 4.42Å; V22-F105 HydrophobicContact CG1-CD1 3.98Å; V22-F105 WeakPolarHBondContact O-CD1 3.31Å; V22-F105 WeakPolarHBondContact O-CE1 3.42Å; V22-A106 HydrophobicContact CG1-CB 4.36Å; V22-A106 WeakPolarHBondContact CG1-O 3.12Å; V22-N109 VanDerWaalsContact CA-OD1 3.3Å; V22-N109 WeakPolarHBondContact CA-OD1 3.43Å
23R91.7Very high70.2Confident61 Ų6178.9 Ų78.923%0.2343%0.427CS..  trans-103.41.7175.975.4-157.6-174.9101-2.2112.9E21 E50 T72 F73 N109E21-R23 PolarHBondContact O-N 3.46Å; R23-E50 IonicContact CZ-OE1 2.68Å; R23-E50 IonicContact CZ-OE2 2.73Å; R23-E50 IonicContact NH1-OE1 3.86Å; R23-E50 IonicContact NH1-OE2 3.97Å; R23-E50 PolarHBondContact NH1-OE2 3.1Å; R23-E50 IonicContact NH2-OE1 3.85Å; R23-E50 PolarHBondContact NH2-OE1 2.85Å; R23-E50 IonicContact NH2-OE2 3.26Å; R23-E50 PolarHBondContact NH2-OE2 3.37Å; R23-T72 HydrophobicContact CG-CG2 3.92Å; R23-F73 WeakPolarHBondContact CB-O 3.49Å; R23-F73 VanDerWaalsContact CD-O 3.24Å; R23-F73 WeakPolarHBondContact CD-O 3.49Å; R23-F73 WeakPolarHBondContact CG-O 3.25Å; R23-F73 PolarHBondContact NH1-O 2.89Å; R23-F73 PolarHBondContact O-N 3.31Å; R23-N109 WeakPolarHBondContact CG-OD1 3.3Å; R23-N109 PolarHBondContact N-OD1 3.38Å
24T92.9Very high72.8Confident0 Ų074.2 Ų74.20%039%0.394CS..EExtended strand (participates in β ladder)trans-99.7129.2177.2-60.40000111V22 F70 V71 T72 A106 N109 T110V22-T24 WeakPolarHBondContact CG1-O 3.46Å; T24-F70 HydrophobicContact CG2-CB 4Å; T24-F70 HydrophobicContact CG2-CD1 4.2Å; T24-V71 CarbonylContact C-O 3.55Å; T24-V71 VanDerWaalsContact CA-O 3.24Å; T24-V71 WeakPolarHBondContact CA-O 3.22Å; T24-T72 PolarHBondContact OG1-OG1 3.42Å; T24-A106 HydrophobicContact CG2-CB 3.73Å; T24-A106 VanDerWaalsContact O-CB 3.3Å; T24-A106 WeakPolarHBondContact O-CB 3.18Å; T24-A106 PolarHBondContact O-N 3.32Å; T24-N109 PolarHBondContact N-OD1 3.29Å; T24-N109 WeakPolarHBondContact OG1-CA 2.86Å; T24-T110 HydrophobicContact CG2-CG2 3.67Å; T24-T110 PolarHBondContact OG1-N 2.67Å; T24-T110 VanDerWaalsContact OG1-N 3.13Å
25L94Very high75Confident0 Ų073.9 Ų73.90%038%0.383CS..EExtended strand (participates in β ladder)trans-90.5134.5166.6-60.4-178.6000111.4F70 V71 F73 A79 A82 R83 L103 E104 F105L25-F70 CarbonylContact O-C 3.5Å; L25-F70 VanDerWaalsContact O-CA 3.31Å; L25-F70 WeakPolarHBondContact O-CA 3.21Å; L25-V71 PolarHBondContact N-O 2.83Å; L25-V71 PolarHBondContact O-N 3.38Å; L25-F73 HydrophobicContact CB-CE2 4.49Å; L25-F73 HydrophobicContact CD1-CE2 3.66Å; L25-F73 HydrophobicContact CD1-CZ 4.25Å; L25-F73 HydrophobicContact CG-CD2 4.37Å; L25-F73 HydrophobicContact CG-CE2 3.89Å; L25-A79 WeakPolarHBondContact CD1-O 3.43Å; L25-A79 HydrophobicContact CD2-CB 4.13Å; L25-A79 HydrophobicContact CG-CB 4.14Å; L25-A82 HydrophobicContact CD1-CB 4.44Å; L25-R83 HydrophobicContact CD1-CB 4.13Å; L25-R83 HydrophobicContact CD2-CB 4.37Å; L25-L103 HydrophobicContact CB-CD2 4.2Å; L25-L103 HydrophobicContact CD1-CD2 3.99Å; L25-E104 CarbonylContact C-O 3.55Å; L25-E104 WeakPolarHBondContact CA-O 3.29Å; L25-F105 HydrophobicContact CD2-CD1 4.06Å; L25-F105 HydrophobicContact CD2-CE1 4.08Å; L25-F105 HydrophobicContact CD2-CG 4.44Å; L25-F105 HydrophobicContact CD2-CZ 4.49Å
26F93.3Very high77.9Confident53 Ų5370.7 Ų70.723%0.23237%0.37CS..EExtended strand (participates in β ladder)trans-84.3126163.7173.9-106000109.7S28 I68 F70 L103 E104 A106F26-S28 VanDerWaalsContact CE1-CB 3.48Å; F26-I68 HydrophobicContact CE2-CB 3.74Å; F26-I68 HydrophobicContact CE2-CD1 3.94Å; F26-I68 HydrophobicContact CE2-CG1 4.38Å; F26-I68 HydrophobicContact CE2-CG2 3.87Å; F26-I68 HydrophobicContact CZ-CB 4.19Å; F26-I68 HydrophobicContact CZ-CG2 3.81Å; F26-F70 HydrophobicContact CD2-CD1 4.36Å; F26-F70 AromaticContact CD2-CE1 3.76Å; F26-F70 HydrophobicContact CD2-CE1 3.76Å; F26-F70 AromaticContact CD2-CZ 3.95Å; F26-F70 HydrophobicContact CD2-CZ 3.95Å; F26-F70 HydrophobicContact CE2-CZ 4.31Å; F26-L103 WeakPolarHBondContact O-CA 3.46Å; F26-E104 PolarHBondContact N-O 3.11Å; F26-E104 PolarHBondContact O-N 3.19Å; F26-E104 VanDerWaalsContact O-N 3.11Å; F26-A106 HydrophobicContact CB-CB 4.46Å
27V92.2Very high80.2Confident0 Ų068.1 Ų68.10%035%0.35CS..EExtended strand (participates in β ladder)trans-110.5119.9-178.9-166.20000108.6L30 L39 F43 I68 G69 V71 I101 L103V27-L30 HydrophobicContact CB-CD1 4.47Å; V27-L30 HydrophobicContact CG1-CD1 4.18Å; V27-L30 HydrophobicContact CG1-CD2 3.86Å; V27-L30 HydrophobicContact CG1-CG 4.1Å; V27-L39 HydrophobicContact CB-CD1 4.35Å; V27-L39 HydrophobicContact CG1-CD1 4.2Å; V27-L39 HydrophobicContact CG2-CD1 4.22Å; V27-F43 HydrophobicContact CG2-CE2 4.13Å; V27-F43 HydrophobicContact CG2-CZ 4.22Å; V27-I68 WeakPolarHBondContact O-CA 3.48Å; V27-G69 PolarHBondContact N-O 3.2Å; V27-G69 PolarHBondContact O-N 3.28Å; V27-V71 HydrophobicContact CG2-CG2 3.67Å; V27-I101 HydrophobicContact CG1-CG2 3.48Å; V27-I101 VanDerWaalsContact CG1-CG2 3.48Å; V27-L103 HydrophobicContact CB-CD2 4.35Å; V27-L103 HydrophobicContact CG1-CD2 4.25Å; V27-L103 HydrophobicContact CG2-CD2 3.71Å
28S89Confident82.8Confident20 Ų2067.9 Ų67.914%0.1435%0.346CS..EExtended strand (participates in β ladder)trans-130.4167.3178.559.50000111.9F26 L30 I101 R102F26-S28 VanDerWaalsContact CE1-CB 3.48Å; S28-L30 VanDerWaalsContact C-N 3.34Å; S28-I101 CarbonylContact O-C 3.59Å; S28-I101 WeakPolarHBondContact O-CA 3.28Å; S28-R102 PolarHBondContact N-O 3.16Å; S28-R102 PolarHBondContact O-N 3.23Å; S28-R102 WeakPolarHBondContact OG-CB 3.46Å
29G85.4Confident84.9Confident14 Ų1461 Ų6114%0.14430%0.304CS..SBendtrans76.622.4-17300000113.3
30L86.1Confident87Confident5 Ų558 Ų583%0.02629%0.287CS..  trans-75.1140176.3-64.6173.4000110.4V27 S28 T34 L39 L54 A66 P67 I101V27-L30 HydrophobicContact CB-CD1 4.47Å; V27-L30 HydrophobicContact CG1-CD1 4.18Å; V27-L30 HydrophobicContact CG1-CD2 3.86Å; V27-L30 HydrophobicContact CG1-CG 4.1Å; S28-L30 VanDerWaalsContact C-N 3.34Å; L30-T34 HydrophobicContact CB-CG2 4.34Å; L30-T34 HydrophobicContact CD1-CG2 4.25Å; L30-T34 HydrophobicContact CD2-CG2 4.37Å; L30-L39 HydrophobicContact CD1-CD1 4.32Å; L30-L54 HydrophobicContact CD1-CD1 3.66Å; L30-A66 WeakPolarHBondContact O-CB 3.45Å; L30-P67 HydrophobicContact CB-CG 4.01Å; L30-P67 WeakPolarHBondContact O-CD 3.34Å; L30-I101 HydrophobicContact CD2-CD1 3.99Å; L30-I101 HydrophobicContact CD2-CG1 4.21Å; L30-I101 HydrophobicContact CD2-CG2 4.35Å
31P84.4Confident88.4Confident65 Ų6554.4 Ų54.442%0.42227%0.272SS..  trans-53.5149.9171.2-28.735.8000113.3D33 T34 P67P31-D33 WeakPolarHBondContact CB-OD1 3.33Å; P31-D33 PolarHBondContact O-N 3.37Å; P31-D33 VanDerWaalsContact O-N 3.17Å; P31-T34 VanDerWaalsContact CD-OG1 3.31Å; P31-T34 WeakPolarHBondContact CD-OG1 3.1Å; P31-T34 VanDerWaalsContact O-CB 3.28Å; P31-T34 WeakPolarHBondContact O-CB 3.29Å; P31-T34 PolarHBondContact O-N 3.09Å; P31-T34 PolarHBondContact O-OG1 3.39Å; P31-P67 WeakPolarHBondContact O-CD 3.49Å; P31-P67 WeakPolarHBondContact O-CG 3.3Å
32L82.7Confident88.7Confident103 Ų10351.7 Ų51.754%0.53926%0.261SS..THydrogen-bonded Turntrans-61.1-25.4-177.4-74.7164.9000113.8L64L32-L64 HydrophobicContact CD1-CB 4.25Å; L32-L64 HydrophobicContact CD1-CD2 4.25Å; L32-L64 HydrophobicContact CD2-CB 3.96Å; L32-L64 HydrophobicContact CD2-CD2 4.01Å
33D83.5Confident88.8Confident120 Ų12050 Ų5064%0.64225%0.251SS*.THydrogen-bonded Turntrans-90.13.8178.459.9-31000113.6P31 K35P31-D33 WeakPolarHBondContact CB-OD1 3.33Å; P31-D33 PolarHBondContact O-N 3.37Å; P31-D33 VanDerWaalsContact O-N 3.17Å; D33-K35 PolarHBondContact O-N 2.53Å
34T86.3Confident88.7Confident16 Ų1653.7 Ų53.710%0.09827%0.265CS..  trans-58.4126.9-178.7-56.80000111.2L30 P31 E38 L54L30-T34 HydrophobicContact CB-CG2 4.34Å; L30-T34 HydrophobicContact CD1-CG2 4.25Å; L30-T34 HydrophobicContact CD2-CG2 4.37Å; P31-T34 VanDerWaalsContact CD-OG1 3.31Å; P31-T34 WeakPolarHBondContact CD-OG1 3.1Å; P31-T34 VanDerWaalsContact O-CB 3.28Å; P31-T34 WeakPolarHBondContact O-CB 3.29Å; P31-T34 PolarHBondContact O-N 3.09Å; P31-T34 PolarHBondContact O-OG1 3.39Å; T34-E38 WeakPolarHBondContact CA-OE2 3.27Å; T34-E38 HydrophobicContact CG2-CB 4.48Å; T34-L54 HydrophobicContact CG2-CD1 4.08Å; T34-L54 HydrophobicContact CG2-CD2 4.43Å; T34-L54 WeakPolarHBondContact O-CD2 3.26Å
35K88.4Confident88.4Confident105 Ų10557.2 Ų57.246%0.45730%0.301SS..  trans-98.5152.9175.7-65.8177.1177.5175.50111.1D33 R37 E38 L39 E160D33-K35 PolarHBondContact O-N 2.53Å; K35-R37 PolarHBondContact O-N 2.94Å; K35-R37 VanDerWaalsContact O-N 3.09Å; K35-E38 HydrophobicContact CB-CG 4.34Å; K35-E38 PolarHBondContact N-OE2 3.37Å; K35-E38 PolarHBondContact O-N 3.47Å; K35-L39 PolarHBondContact O-N 2.83Å; K35-E160 IonicContact NZ-OE1 2.73Å; K35-E160 PolarHBondContact NZ-OE1 3.38Å
36P89.4Confident88.2Confident80 Ų8057.7 Ų57.752%0.51930%0.304SS..Hα-helixtrans-53.7-32.8173.5-24.531.9000113.5E38 L39 Y40 L54P36-E38 VanDerWaalsContact C-N 3.33Å; P36-E38 PolarHBondContact O-N 3.42Å; P36-L39 PolarHBondContact O-N 3.39Å; P36-Y40 PolarHBondContact O-N 2.95Å; P36-Y40 VanDerWaalsContact O-N 3.12Å; P36-L54 HydrophobicContact CB-CB 4.29Å; P36-L54 HydrophobicContact CG-CB 4.08Å; P36-L54 HydrophobicContact CG-CD2 4.21Å
37R87.7Confident88Confident109 Ų10962.5 Ų62.541%0.41133%0.327SS..Hα-helixtrans-62.7-37.9177.6-178.761.1-177.4-155.8-1.6112.5K35 Y40 L41K35-R37 PolarHBondContact O-N 2.94Å; K35-R37 VanDerWaalsContact O-N 3.09Å; R37-Y40 WeakPolarHBondContact O-CB 3.46Å; R37-Y40 PolarHBondContact O-N 3.45Å; R37-L41 HydrophobicContact CG-CD1 4.15Å; R37-L41 HydrophobicContact CG-CG 4.37Å; R37-L41 VanDerWaalsContact O-CG 3.28Å; R37-L41 WeakPolarHBondContact O-CG 3.29Å; R37-L41 PolarHBondContact O-N 3.31Å
38E89.9Confident87.8Confident88 Ų8863.4 Ų63.441%0.41134%0.337SS..Hα-helixtrans-69.4-38.9-179-64.7172.2142.400110.6T34 K35 P36 Y40 L41 L42T34-E38 WeakPolarHBondContact CA-OE2 3.27Å; T34-E38 HydrophobicContact CG2-CB 4.48Å; K35-E38 HydrophobicContact CB-CG 4.34Å; K35-E38 PolarHBondContact N-OE2 3.37Å; K35-E38 PolarHBondContact O-N 3.47Å; P36-E38 VanDerWaalsContact C-N 3.33Å; P36-E38 PolarHBondContact O-N 3.42Å; E38-Y40 VanDerWaalsContact C-N 3.34Å; E38-Y40 PolarHBondContact O-N 2.66Å; E38-L41 PolarHBondContact O-N 3.1Å; E38-L42 WeakPolarHBondContact O-CB 3.4Å; E38-L42 PolarHBondContact O-N 2.81Å
39L89Confident87.9Confident2 Ų264.8 Ų64.81%0.0134%0.339CS..Hα-helixtrans-61.4-43.2172.9-160.868000111.3V27 L30 K35 P36 L42 F43 L54 V71V27-L39 HydrophobicContact CB-CD1 4.35Å; V27-L39 HydrophobicContact CG1-CD1 4.2Å; V27-L39 HydrophobicContact CG2-CD1 4.22Å; L30-L39 HydrophobicContact CD1-CD1 4.32Å; K35-L39 PolarHBondContact O-N 2.83Å; P36-L39 PolarHBondContact O-N 3.39Å; L39-L42 PolarHBondContact O-N 2.93Å; L39-F43 HydrophobicContact CD1-CD2 4.15Å; L39-F43 HydrophobicContact CD1-CE2 3.86Å; L39-F43 HydrophobicContact CG-CD2 4.41Å; L39-F43 WeakPolarHBondContact O-CD2 3.47Å; L39-F43 PolarHBondContact O-N 3.25Å; L39-L54 HydrophobicContact CD2-CD1 4.46Å; L39-V71 HydrophobicContact CD1-CG2 4.22Å; L39-V71 HydrophobicContact CD2-CG2 4.23Å; L39-V71 HydrophobicContact CG-CG2 4.08Å
40Y91.3Very high88.1Confident84 Ų8468.2 Ų68.233%0.32935%0.351SS..Hα-helixtrans-60.1-48.9172.2165-98.2000111.8P36 R37 E38 L42 F43 R44 Y49 S52P36-Y40 PolarHBondContact O-N 2.95Å; P36-Y40 VanDerWaalsContact O-N 3.12Å; R37-Y40 WeakPolarHBondContact O-CB 3.46Å; R37-Y40 PolarHBondContact O-N 3.45Å; E38-Y40 VanDerWaalsContact C-N 3.34Å; E38-Y40 PolarHBondContact O-N 2.66Å; Y40-L42 PolarHBondContact O-N 3.31Å; Y40-F43 PolarHBondContact O-N 2.93Å; Y40-R44 HydrophobicContact CD2-CB 4.28Å; Y40-R44 HydrophobicContact CE1-CB 4.41Å; Y40-R44 HydrophobicContact CE2-CB 3.89Å; Y40-R44 WeakPolarHBondContact O-CB 3.5Å; Y40-R44 WeakPolarHBondContact O-CG 3.14Å; Y40-R44 PolarHBondContact O-N 2.8Å; Y40-Y49 AromaticContact CD2-CE1 3.79Å; Y40-Y49 HydrophobicContact CD2-CE1 3.79Å; Y40-Y49 AromaticContact CD2-CZ 3.9Å; Y40-Y49 WeakPolarHBondContact CD2-OH 3.46Å; Y40-Y49 HydrophobicContact CE2-CE1 4.02Å; Y40-S52 PolarHBondContact N-OG 3.27Å
41L89.4Confident88.4Confident74 Ų7469.3 Ų69.339%0.38736%0.359SS..Hα-helixtrans-62-33-178.9-71.9175.3000112.5R37 E38 R44R37-L41 HydrophobicContact CG-CD1 4.15Å; R37-L41 HydrophobicContact CG-CG 4.37Å; R37-L41 VanDerWaalsContact O-CG 3.28Å; R37-L41 WeakPolarHBondContact O-CG 3.29Å; R37-L41 PolarHBondContact O-N 3.31Å; E38-L41 PolarHBondContact O-N 3.1Å; L41-R44 VanDerWaalsContact CD2-CZ 3.46Å
42L88Confident88.7Confident52 Ų5267.5 Ų67.527%0.27235%0.349SS..Hα-helixtrans-69.7-41.3179.7-167.157.9000112.3E38 L39 Y40 M86 I101E38-L42 WeakPolarHBondContact O-CB 3.4Å; E38-L42 PolarHBondContact O-N 2.81Å; L39-L42 PolarHBondContact O-N 2.93Å; Y40-L42 PolarHBondContact O-N 3.31Å; L42-M86 HydrophobicContact CD1-CE 3.62Å; L42-M86 HydrophobicContact CD1-SD 4.21Å; L42-M86 HydrophobicContact CD2-CE 3.58Å; L42-M86 HydrophobicContact CG-CE 3.56Å; L42-M86 HydrophobicContact CG-SD 4.33Å; L42-I101 HydrophobicContact CD2-CD1 4.1Å
43F90.7Very high89.1Confident0 Ų067.4 Ų67.40%035%0.348CS..Hα-helixtrans-104.1-13.7-172.8-69.6-79.4000115.1V27 L39 Y40 G45 C46 Y49 V71 F73 M86 L103V27-F43 HydrophobicContact CG2-CE2 4.13Å; V27-F43 HydrophobicContact CG2-CZ 4.22Å; L39-F43 HydrophobicContact CD1-CD2 4.15Å; L39-F43 HydrophobicContact CD1-CE2 3.86Å; L39-F43 HydrophobicContact CG-CD2 4.41Å; L39-F43 WeakPolarHBondContact O-CD2 3.47Å; L39-F43 PolarHBondContact O-N 3.25Å; Y40-F43 PolarHBondContact O-N 2.93Å; F43-G45 PolarHBondContact O-N 3.27Å; F43-C46 VanDerWaalsContact O-CB 3.26Å; F43-C46 WeakPolarHBondContact O-CB 3.41Å; F43-C46 PolarHBondContact O-N 2.95Å; F43-Y49 HydrophobicContact CB-CD2 3.54Å; F43-Y49 HydrophobicContact CB-CE2 3.69Å; F43-Y49 WeakPolarHBondContact O-CB 3.27Å; F43-V71 HydrophobicContact CB-CG1 3.82Å; F43-V71 HydrophobicContact CD1-CG1 4.05Å; F43-V71 HydrophobicContact CD2-CB 4.37Å; F43-V71 HydrophobicContact CD2-CG1 4.13Å; F43-V71 HydrophobicContact CD2-CG2 3.48Å; F43-V71 VanDerWaalsContact CD2-CG2 3.48Å; F43-V71 HydrophobicContact CE2-CG2 3.65Å; F43-V71 HydrophobicContact CG-CB 4.39Å; F43-V71 HydrophobicContact CG-CG1 3.72Å; F43-V71 HydrophobicContact CG-CG2 3.97Å; F43-V71 HydrophobicContact CZ-CG2 4.25Å; F43-F73 AromaticContact CD1-CZ 3.9Å; F43-F73 HydrophobicContact CD1-CZ 3.9Å; F43-M86 HydrophobicContact CE1-CG 4.03Å; F43-M86 HydrophobicContact CZ-CE 4.38Å; F43-M86 HydrophobicContact CZ-CG 4.49Å; F43-L103 HydrophobicContact CE1-CD1 4.49Å; F43-L103 HydrophobicContact CE1-CD2 4.09Å; F43-L103 HydrophobicContact CZ-CD1 4.31Å; F43-L103 HydrophobicContact CZ-CD2 3.64Å
44R89.7Confident89.5Confident138 Ų13862.8 Ų62.852%0.52132%0.323SS..THydrogen-bonded Turntrans-57.9-23.6-17967177.8-176.61612.9114.9Y40 L41Y40-R44 HydrophobicContact CD2-CB 4.28Å; Y40-R44 HydrophobicContact CE1-CB 4.41Å; Y40-R44 HydrophobicContact CE2-CB 3.89Å; Y40-R44 WeakPolarHBondContact O-CB 3.5Å; Y40-R44 WeakPolarHBondContact O-CG 3.14Å; Y40-R44 PolarHBondContact O-N 2.8Å; L41-R44 VanDerWaalsContact CD2-CZ 3.46Å
45G86.7Confident89.6Confident73 Ų7367.9 Ų67.975%0.75334%0.344SS*.THydrogen-bonded Turntrans-87.2-8.9177.800000113.6F43F43-G45 PolarHBondContact O-N 3.27Å
46C88.2Confident89.1Confident10 Ų1067.2 Ų67.27%0.06835%0.348CS..SBendtrans-76.7137.7176.3-57.90000109.4F43 G48 Y49 F73 A82 M85F43-C46 VanDerWaalsContact O-CB 3.26Å; F43-C46 WeakPolarHBondContact O-CB 3.41Å; F43-C46 PolarHBondContact O-N 2.95Å; C46-G48 PolarHBondContact O-N 2.79Å; C46-Y49 PolarHBondContact O-N 2.99Å; C46-F73 HydrophobicContact CB-CE1 3.72Å; C46-F73 HydrophobicContact CB-CZ 4.41Å; C46-A82 HydrophobicContact CB-CB 4Å; C46-M85 HydrophobicContact CB-CE 4.39Å; C46-M85 WeakPolarHBondContact SG-CE 3.45Å
47Q89.7Confident88Confident155 Ų15565.8 Ų65.872%0.72434%0.338SS*.THydrogen-bonded Turntrans-57.9138174.2-173.1165.69.600110Y49 S78Q47-Y49 VanDerWaalsContact C-N 3.31Å; Q47-Y49 PolarHBondContact O-N 2.79Å; Q47-S78 WeakPolarHBondContact O-CB 3.39Å
48G87.6Confident86.9Confident19 Ų1969.1 Ų69.120%0.19636%0.358CS..THydrogen-bonded Turntrans74.210.2177.500000115.9C46 E50 F73 T74C46-G48 PolarHBondContact O-N 2.79Å; G48-E50 PolarHBondContact O-N 3.38Å; G48-F73 CarbonylContact O-C 3.48Å; G48-F73 WeakPolarHBondContact O-CA 3.48Å; G48-T74 WeakPolarHBondContact CA-OG1 3.2Å; G48-T74 PolarHBondContact O-N 3.5Å; G48-T74 PolarHBondContact O-OG1 3.46Å
49Y91.6Very high85.3Confident49 Ų4972.8 Ų72.819%0.19237%0.373CS..EExtended strand (participates in β ladder)trans-58.9127173.7174-93.2000112Y40 F43 C46 Q47 S52 V71Y40-Y49 AromaticContact CD2-CE1 3.79Å; Y40-Y49 HydrophobicContact CD2-CE1 3.79Å; Y40-Y49 AromaticContact CD2-CZ 3.9Å; Y40-Y49 WeakPolarHBondContact CD2-OH 3.46Å; Y40-Y49 HydrophobicContact CE2-CE1 4.02Å; F43-Y49 HydrophobicContact CB-CD2 3.54Å; F43-Y49 HydrophobicContact CB-CE2 3.69Å; F43-Y49 WeakPolarHBondContact O-CB 3.27Å; C46-Y49 PolarHBondContact O-N 2.99Å; Q47-Y49 VanDerWaalsContact C-N 3.31Å; Q47-Y49 PolarHBondContact O-N 2.79Å; Y49-S52 WeakPolarHBondContact OH-CB 3.38Å; Y49-S52 PolarHBondContact OH-N 3.21Å; Y49-S52 VanDerWaalsContact OH-N 3.12Å; Y49-S52 PolarHBondContact OH-OG 3.48Å; Y49-V71 HydrophobicContact CD2-CG1 3.84Å; Y49-V71 HydrophobicContact CE2-CG1 3.85Å
50E90.7Very high83.4Confident85 Ų8578 Ų7840%0.39741%0.409SS..EExtended strand (participates in β ladder)trans-110.9-49.1178.2-176.4173.313600111.9R23 G48 T72R23-E50 IonicContact CZ-OE1 2.68Å; R23-E50 IonicContact CZ-OE2 2.73Å; R23-E50 IonicContact NH1-OE1 3.86Å; R23-E50 IonicContact NH1-OE2 3.97Å; R23-E50 PolarHBondContact NH1-OE2 3.1Å; R23-E50 IonicContact NH2-OE1 3.85Å; R23-E50 PolarHBondContact NH2-OE1 2.85Å; R23-E50 IonicContact NH2-OE2 3.26Å; R23-E50 PolarHBondContact NH2-OE2 3.37Å; G48-E50 PolarHBondContact O-N 3.38Å; E50-T72 WeakPolarHBondContact CB-O 3.1Å; E50-T72 PolarHBondContact N-O 3.29Å
51S90.7Very high81.4Confident28 Ų2879.4 Ų79.420%0.19643%0.432CS..EExtended strand (participates in β ladder)trans-161.4161.3-179.6610000112.3V71 T72S51-V71 WeakPolarHBondContact O-CA 3.49Å; S51-T72 PolarHBondContact N-O 2.96Å; S51-T72 PolarHBondContact O-N 3.42Å
52S92.1Very high79.8Confident28 Ų2882 Ų8220%0.19646%0.457CS..EExtended strand (participates in β ladder)trans-136.8138.1170.859.10000111.2Y40 Y49 F70Y40-S52 PolarHBondContact N-OG 3.27Å; Y49-S52 WeakPolarHBondContact OH-CB 3.38Å; Y49-S52 PolarHBondContact OH-N 3.21Å; Y49-S52 VanDerWaalsContact OH-N 3.12Å; Y49-S52 PolarHBondContact OH-OG 3.48Å; S52-F70 CarbonylContact C-O 3.46Å; S52-F70 WeakPolarHBondContact CA-O 3.48Å
53L91.5Very high78.6Confident101 Ų10188 Ų8853%0.52948%0.48SS..EExtended strand (participates in β ladder)trans-121.3126.5178.1179.266.5000109.1G69 F70L53-G69 CarbonylContact O-C 3.6Å; L53-G69 WeakPolarHBondContact O-CA 3.37Å; L53-F70 HydrophobicContact CB-CB 4.48Å; L53-F70 PolarHBondContact N-O 3.39Å; L53-F70 PolarHBondContact O-N 2.82Å
54L90.9Very high77.4Confident22 Ų2295 Ų9512%0.11552%0.517CS..EExtended strand (participates in β ladder)trans-97.7129.3170.1-170.277000109.3L30 T34 P36 L39 V56 P67L30-L54 HydrophobicContact CD1-CD1 3.66Å; T34-L54 HydrophobicContact CG2-CD1 4.08Å; T34-L54 HydrophobicContact CG2-CD2 4.43Å; T34-L54 WeakPolarHBondContact O-CD2 3.26Å; P36-L54 HydrophobicContact CB-CB 4.29Å; P36-L54 HydrophobicContact CG-CB 4.08Å; P36-L54 HydrophobicContact CG-CD2 4.21Å; L39-L54 HydrophobicContact CD2-CD1 4.46Å; L54-V56 HydrophobicContact CD2-CG2 4.23Å; L54-P67 HydrophobicContact CD1-CB 4.15Å; L54-P67 HydrophobicContact CG-CB 4.46Å
55K87.9Confident76.4Confident124 Ų12491.1 Ų91.154%0.53951%0.509SS..EExtended strand (participates in β ladder)trans-115.9107.4173.3179.4171.9-178.6170.10108.9T57 I68 F70K55-T57 PolarHBondContact O-N 3.2Å; K55-I68 HydrophobicContact CB-CD1 4.43Å; K55-I68 HydrophobicContact CB-CG1 3.98Å; K55-I68 HydrophobicContact CD-CD1 4.3Å; K55-I68 HydrophobicContact CG-CD1 4.48Å; K55-I68 HydrophobicContact CG-CG1 4.39Å; K55-I68 PolarHBondContact N-O 3.16Å; K55-I68 WeakPolarHBondContact O-CG1 3.45Å; K55-I68 PolarHBondContact O-N 3.43Å; K55-F70 HydrophobicContact CB-CE2 4.49Å
56V78.9Confident76.1Confident91 Ų9189.1 Ų89.155%0.55249%0.485SS*.  trans-79.3110.8172.4-174.50000107.6L54 Q58 P67L54-V56 HydrophobicContact CD2-CG2 4.23Å; V56-Q58 HydrophobicContact CG1-CG 4.24Å; V56-P67 HydrophobicContact CG2-CB 4.37Å
57T66.2Low76Confident50 Ų5088.7 Ų88.731%0.30748%0.482SS..  trans-89.1107.6172.4173.10000108.6K55 T65K55-T57 PolarHBondContact O-N 3.2Å; T57-T65 VanDerWaalsContact CG2-OG1 3.32Å; T57-T65 WeakPolarHBondContact CG2-OG1 3.44Å; T57-T65 PolarHBondContact O-OG1 2.75Å
58Q63.7Low76Confident178 Ų17883.2 Ų83.283%0.83246%0.457SS*.  trans-98.996.9165.1-70.1-173.7-26.100107.4V56 S60V56-Q58 HydrophobicContact CG1-CG 4.24Å; Q58-S60 PolarHBondContact O-N 3.25Å
59K55.9Low76.2Confident165 Ų16582.3 Ų82.372%0.71745%0.448SS*.  trans-82117.5169.8-152.9176.3-178.7-177.20107.5S61K59-S61 PolarHBondContact O-N 3.42Å
60S49.1Very low76.3Confident111 Ų11182.1 Ų82.178%0.77645%0.448SS*.SBendtrans-51.7131.9175.455.60000110.8Q58Q58-S60 PolarHBondContact O-N 3.25Å
61S50.7Low76.5Confident115 Ų11578.1 Ų78.180%0.80443%0.429SS*.SBendtrans91.499.9174.4-150.60000116.7K59 K63K59-S61 PolarHBondContact O-N 3.42Å; S61-K63 PolarHBondContact O-N 3.48Å; S61-K63 VanDerWaalsContact O-N 3.08Å
62S55.5Low76.5Confident129 Ų12976.8 Ų76.890%0.90242%0.42SS*.SBendtrans67-9.9156.4-1560000121.6
63K63Low76.6Confident177 Ų17775.5 Ų75.577%0.7741%0.411SS*.  trans-130.5109.3174.4-114.8177.5-177.7175.90111S61 T65S61-K63 PolarHBondContact O-N 3.48Å; S61-K63 VanDerWaalsContact O-N 3.08Å; K63-T65 PolarHBondContact O-N 3.33Å
64L64.3Low76.6Confident148 Ų14874.9 Ų74.978%0.77541%0.412SS*.  trans-62.6115.5169.3-80.8116.7000109L32L32-L64 HydrophobicContact CD1-CB 4.25Å; L32-L64 HydrophobicContact CD1-CD2 4.25Å; L32-L64 HydrophobicContact CD2-CB 3.96Å; L32-L64 HydrophobicContact CD2-CD2 4.01Å
65T70Confident76.5Confident56 Ų5676.2 Ų76.234%0.34442%0.423SS..PPolyproline II helixtrans-88.4127.1171.941.40000109.5T57 K63T57-T65 VanDerWaalsContact CG2-OG1 3.32Å; T57-T65 WeakPolarHBondContact CG2-OG1 3.44Å; T57-T65 PolarHBondContact O-OG1 2.75Å; K63-T65 PolarHBondContact O-N 3.33Å
66A79.7Confident76.6Confident30 Ų3074.8 Ų74.825%0.24841%0.414CS..PPolyproline II helixtrans-51141.4174.300000111.3L30L30-A66 WeakPolarHBondContact O-CB 3.45Å
67P86.1Confident77.2Confident2 Ų276.7 Ų76.71%0.01342%0.417CS..PPolyproline II helixtrans-61.9153.2176.226-33.2000111L30 P31 L54 V56L30-P67 HydrophobicContact CB-CG 4.01Å; L30-P67 WeakPolarHBondContact O-CD 3.34Å; P31-P67 WeakPolarHBondContact O-CD 3.49Å; P31-P67 WeakPolarHBondContact O-CG 3.3Å; L54-P67 HydrophobicContact CD1-CB 4.15Å; L54-P67 HydrophobicContact CG-CB 4.46Å; V56-P67 HydrophobicContact CG2-CB 4.37Å
68I89.7Confident78.3Confident39 Ų3974.6 Ų74.620%0.240%0.404CS..EExtended strand (participates in β ladder)trans-118.2144.3176.858170.5000109.6F26 V27 K55 F70F26-I68 HydrophobicContact CE2-CB 3.74Å; F26-I68 HydrophobicContact CE2-CD1 3.94Å; F26-I68 HydrophobicContact CE2-CG1 4.38Å; F26-I68 HydrophobicContact CE2-CG2 3.87Å; F26-I68 HydrophobicContact CZ-CB 4.19Å; F26-I68 HydrophobicContact CZ-CG2 3.81Å; V27-I68 WeakPolarHBondContact O-CA 3.48Å; K55-I68 HydrophobicContact CB-CD1 4.43Å; K55-I68 HydrophobicContact CB-CG1 3.98Å; K55-I68 HydrophobicContact CD-CD1 4.3Å; K55-I68 HydrophobicContact CG-CD1 4.48Å; K55-I68 HydrophobicContact CG-CG1 4.39Å; K55-I68 PolarHBondContact N-O 3.16Å; K55-I68 WeakPolarHBondContact O-CG1 3.45Å; K55-I68 PolarHBondContact O-N 3.43Å; I68-F70 HydrophobicContact CD1-CE2 4.05Å; I68-F70 HydrophobicContact CD1-CZ 4.22Å; I68-F70 HydrophobicContact CG1-CE2 4.43Å
69G92Very high79.7Confident0 Ų066.1 Ų66.10%037%0.365CS..EExtended strand (participates in β ladder)trans-113.9155.2177.800000111.8V27 L53V27-G69 PolarHBondContact N-O 3.2Å; V27-G69 PolarHBondContact O-N 3.28Å; L53-G69 CarbonylContact O-C 3.6Å; L53-G69 WeakPolarHBondContact O-CA 3.37Å
70F94.1Very high81.4Confident46 Ų4662 Ų6220%0.20235%0.348CS..EExtended strand (participates in β ladder)trans-128.2129167.3-62.9-89.3000108.3T24 L25 F26 S52 L53 K55 I68 A106 T110T24-F70 HydrophobicContact CG2-CB 4Å; T24-F70 HydrophobicContact CG2-CD1 4.2Å; L25-F70 CarbonylContact O-C 3.5Å; L25-F70 VanDerWaalsContact O-CA 3.31Å; L25-F70 WeakPolarHBondContact O-CA 3.21Å; F26-F70 HydrophobicContact CD2-CD1 4.36Å; F26-F70 AromaticContact CD2-CE1 3.76Å; F26-F70 HydrophobicContact CD2-CE1 3.76Å; F26-F70 AromaticContact CD2-CZ 3.95Å; F26-F70 HydrophobicContact CD2-CZ 3.95Å; F26-F70 HydrophobicContact CE2-CZ 4.31Å; S52-F70 CarbonylContact C-O 3.46Å; S52-F70 WeakPolarHBondContact CA-O 3.48Å; L53-F70 HydrophobicContact CB-CB 4.48Å; L53-F70 PolarHBondContact N-O 3.39Å; L53-F70 PolarHBondContact O-N 2.82Å; K55-F70 HydrophobicContact CB-CE2 4.49Å; I68-F70 HydrophobicContact CD1-CE2 4.05Å; I68-F70 HydrophobicContact CD1-CZ 4.22Å; I68-F70 HydrophobicContact CG1-CE2 4.43Å; F70-A106 HydrophobicContact CD1-CB 4.27Å; F70-A106 HydrophobicContact CE1-CB 4.48Å; F70-T110 HydrophobicContact CB-CG2 3.59Å; F70-T110 HydrophobicContact CD1-CG2 4.17Å; F70-T110 HydrophobicContact CG-CG2 3.99Å
71V93.6Very high83.3Confident0 Ų060.7 Ų60.70%033%0.33CS..EExtended strand (participates in β ladder)trans-124.8120.9-178.5-177.10000108.3T24 L25 V27 L39 F43 Y49 S51 F73T24-V71 CarbonylContact C-O 3.55Å; T24-V71 VanDerWaalsContact CA-O 3.24Å; T24-V71 WeakPolarHBondContact CA-O 3.22Å; L25-V71 PolarHBondContact N-O 2.83Å; L25-V71 PolarHBondContact O-N 3.38Å; V27-V71 HydrophobicContact CG2-CG2 3.67Å; L39-V71 HydrophobicContact CD1-CG2 4.22Å; L39-V71 HydrophobicContact CD2-CG2 4.23Å; L39-V71 HydrophobicContact CG-CG2 4.08Å; F43-V71 HydrophobicContact CB-CG1 3.82Å; F43-V71 HydrophobicContact CD1-CG1 4.05Å; F43-V71 HydrophobicContact CD2-CB 4.37Å; F43-V71 HydrophobicContact CD2-CG1 4.13Å; F43-V71 HydrophobicContact CD2-CG2 3.48Å; F43-V71 VanDerWaalsContact CD2-CG2 3.48Å; F43-V71 HydrophobicContact CE2-CG2 3.65Å; F43-V71 HydrophobicContact CG-CB 4.39Å; F43-V71 HydrophobicContact CG-CG1 3.72Å; F43-V71 HydrophobicContact CG-CG2 3.97Å; F43-V71 HydrophobicContact CZ-CG2 4.25Å; Y49-V71 HydrophobicContact CD2-CG1 3.84Å; Y49-V71 HydrophobicContact CE2-CG1 3.85Å; S51-V71 WeakPolarHBondContact O-CA 3.49Å; V71-F73 HydrophobicContact CB-CE2 4.06Å; V71-F73 HydrophobicContact CG1-CD2 4.25Å; V71-F73 HydrophobicContact CG1-CE2 3.47Å; V71-F73 VanDerWaalsContact CG1-CE2 3.47Å; V71-F73 HydrophobicContact CG1-CZ 3.65Å
72T92.7Very high85.1Confident1 Ų155.3 Ų55.31%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-105.2134-176.1-58.70000110.1R23 T24 E50 S51 T110R23-T72 HydrophobicContact CG-CG2 3.92Å; T24-T72 PolarHBondContact OG1-OG1 3.42Å; E50-T72 WeakPolarHBondContact CB-O 3.1Å; E50-T72 PolarHBondContact N-O 3.29Å; S51-T72 PolarHBondContact N-O 2.96Å; S51-T72 PolarHBondContact O-N 3.42Å; T72-T110 PolarHBondContact OG1-OG1 3.17Å
73F93.1Very high86.7Confident0 Ų053.2 Ų53.20%027%0.265CS..EExtended strand (participates in β ladder)trans-114.5161.8179.3-64.6-95.9000112.1R23 L25 F43 C46 G48 V71 S75 S78 A79 A82R23-F73 WeakPolarHBondContact CB-O 3.49Å; R23-F73 VanDerWaalsContact CD-O 3.24Å; R23-F73 WeakPolarHBondContact CD-O 3.49Å; R23-F73 WeakPolarHBondContact CG-O 3.25Å; R23-F73 PolarHBondContact NH1-O 2.89Å; R23-F73 PolarHBondContact O-N 3.31Å; L25-F73 HydrophobicContact CB-CE2 4.49Å; L25-F73 HydrophobicContact CD1-CE2 3.66Å; L25-F73 HydrophobicContact CD1-CZ 4.25Å; L25-F73 HydrophobicContact CG-CD2 4.37Å; L25-F73 HydrophobicContact CG-CE2 3.89Å; F43-F73 AromaticContact CD1-CZ 3.9Å; F43-F73 HydrophobicContact CD1-CZ 3.9Å; C46-F73 HydrophobicContact CB-CE1 3.72Å; C46-F73 HydrophobicContact CB-CZ 4.41Å; G48-F73 CarbonylContact O-C 3.48Å; G48-F73 WeakPolarHBondContact O-CA 3.48Å; V71-F73 HydrophobicContact CB-CE2 4.06Å; V71-F73 HydrophobicContact CG1-CD2 4.25Å; V71-F73 HydrophobicContact CG1-CE2 3.47Å; V71-F73 VanDerWaalsContact CG1-CE2 3.47Å; V71-F73 HydrophobicContact CG1-CZ 3.65Å; F73-S75 VanDerWaalsContact C-N 3.3Å; F73-S75 PolarHBondContact O-N 2.86Å; F73-S78 WeakPolarHBondContact CB-OG 3.37Å; F73-A79 HydrophobicContact CB-CB 4.09Å; F73-A79 HydrophobicContact CD2-CB 3.59Å; F73-A79 HydrophobicContact CE2-CB 4.27Å; F73-A79 HydrophobicContact CG-CB 3.96Å; F73-A82 HydrophobicContact CD1-CB 4.43Å; F73-A82 HydrophobicContact CE1-CB 3.49Å; F73-A82 VanDerWaalsContact CE1-CB 3.49Å; F73-A82 HydrophobicContact CE2-CB 4.17Å; F73-A82 HydrophobicContact CZ-CB 3.34Å
74T90.8Very high87.8Confident89 Ų8950.3 Ų50.355%0.54626%0.257SS..SBendtrans-66.6-30.2179.351.10000112.7G48G48-T74 WeakPolarHBondContact CA-OG1 3.2Å; G48-T74 PolarHBondContact O-N 3.5Å; G48-T74 PolarHBondContact O-OG1 3.46Å
75S89.2Confident88.7Confident50 Ų5048.3 Ų48.335%0.3525%0.245SC..SBendtrans-142.3157.8177.669.40000111.7F73 Q77 S78 A79F73-S75 VanDerWaalsContact C-N 3.3Å; F73-S75 PolarHBondContact O-N 2.86Å; S75-Q77 VanDerWaalsContact C-N 3.32Å; S75-Q77 PolarHBondContact O-N 3.4Å; S75-S78 PolarHBondContact N-OG 3.5Å; S75-S78 PolarHBondContact O-N 3.12Å; S75-S78 PolarHBondContact O-OG 3.25Å; S75-S78 WeakPolarHBondContact OG-CB 3.25Å; S75-S78 PolarHBondContact OG-N 3.27Å; S75-S78 PolarHBondContact OG-OG 3.2Å; S75-S78 VanDerWaalsContact OG-OG 3.05Å; S75-A79 PolarHBondContact O-N 2.84Å
76R91.2Very high89.1Confident94 Ų9446.5 Ų46.536%0.35523%0.233SC..Hα-helixtrans-59.5-43.8173.4-179.8-176.8-177.5153.33.5111.8E21 S78 A79 E80 F105E21-R76 HydrophobicContact CG-CB 3.84Å; E21-R76 VanDerWaalsContact CG-CD 3.45Å; E21-R76 HydrophobicContact CG-CG 4.2Å; E21-R76 WeakPolarHBondContact OE1-CD 3.29Å; E21-R76 IonicContact OE1-CZ 3.35Å; E21-R76 IonicContact OE1-NE 3.93Å; E21-R76 IonicContact OE1-NH1 3.5Å; E21-R76 PolarHBondContact OE1-NH1 3.41Å; E21-R76 WeakPolarHBondContact OE2-CB 3.2Å; R76-S78 VanDerWaalsContact C-N 3.28Å; R76-S78 PolarHBondContact O-N 2.97Å; R76-A79 CarbonylContact O-C 3.56Å; R76-A79 WeakPolarHBondContact O-CA 3.24Å; R76-A79 VanDerWaalsContact O-CB 3.32Å; R76-A79 WeakPolarHBondContact O-CB 3.28Å; R76-A79 PolarHBondContact O-N 2.86Å; R76-E80 HydrophobicContact CG-CG 4.2Å; R76-E80 IonicContact CZ-OE1 3.27Å; R76-E80 IonicContact NE-OE1 2.85Å; R76-E80 PolarHBondContact NE-OE1 3.34Å; R76-E80 IonicContact NH2-OE1 3.04Å; R76-E80 PolarHBondContact O-N 2.82Å; R76-F105 HydrophobicContact CG-CE1 3.95Å; R76-F105 HydrophobicContact CG-CZ 3.72Å
77Q91.1Very high88.7Confident131 Ų13148.1 Ų48.161%0.61224%0.235SC*.Hα-helixtrans-54-46.1178.5-175.1176.65.200111.6S75 A79 E80 E81S75-Q77 VanDerWaalsContact C-N 3.32Å; S75-Q77 PolarHBondContact O-N 3.4Å; Q77-A79 VanDerWaalsContact C-N 3.29Å; Q77-A79 PolarHBondContact O-N 3.46Å; Q77-E80 PolarHBondContact O-N 3.36Å; Q77-E80 VanDerWaalsContact O-N 3.12Å; Q77-E81 WeakPolarHBondContact O-CG 3.47Å; Q77-E81 PolarHBondContact O-N 3.44Å
78S89.2Confident87.4Confident6 Ų651.2 Ų51.24%0.04226%0.26CS..Hα-helixtrans-64.1-32176.460.90000113.5Q47 F73 S75 R76 A82Q47-S78 WeakPolarHBondContact O-CB 3.39Å; F73-S78 WeakPolarHBondContact CB-OG 3.37Å; S75-S78 PolarHBondContact N-OG 3.5Å; S75-S78 PolarHBondContact O-N 3.12Å; S75-S78 PolarHBondContact O-OG 3.25Å; S75-S78 WeakPolarHBondContact OG-CB 3.25Å; S75-S78 PolarHBondContact OG-N 3.27Å; S75-S78 PolarHBondContact OG-OG 3.2Å; S75-S78 VanDerWaalsContact OG-OG 3.05Å; R76-S78 VanDerWaalsContact C-N 3.28Å; R76-S78 PolarHBondContact O-N 2.97Å; S78-A82 WeakPolarHBondContact O-CB 3.33Å; S78-A82 PolarHBondContact O-N 3.19Å
79A91.9Very high85.8Confident0 Ų058.4 Ų58.40%029%0.285CS..Hα-helixtrans-70.1-37.3172.100000112.4L25 F73 S75 R76 Q77 R83 F105L25-A79 WeakPolarHBondContact CD1-O 3.43Å; L25-A79 HydrophobicContact CD2-CB 4.13Å; L25-A79 HydrophobicContact CG-CB 4.14Å; F73-A79 HydrophobicContact CB-CB 4.09Å; F73-A79 HydrophobicContact CD2-CB 3.59Å; F73-A79 HydrophobicContact CE2-CB 4.27Å; F73-A79 HydrophobicContact CG-CB 3.96Å; S75-A79 PolarHBondContact O-N 2.84Å; R76-A79 CarbonylContact O-C 3.56Å; R76-A79 WeakPolarHBondContact O-CA 3.24Å; R76-A79 VanDerWaalsContact O-CB 3.32Å; R76-A79 WeakPolarHBondContact O-CB 3.28Å; R76-A79 PolarHBondContact O-N 2.86Å; Q77-A79 VanDerWaalsContact C-N 3.29Å; Q77-A79 PolarHBondContact O-N 3.46Å; A79-R83 WeakPolarHBondContact O-CB 3.18Å; A79-R83 PolarHBondContact O-N 3.22Å; A79-F105 HydrophobicContact CB-CE1 3.97Å; A79-F105 HydrophobicContact CB-CZ 4.41Å
80E91.8Very high83.9Confident77 Ų7761.5 Ų61.536%0.3631%0.307SS..Hα-helixtrans-66.6-44.4176.1-66-174.8166.600111.6R76 Q77 R83 L84 F105R76-E80 HydrophobicContact CG-CG 4.2Å; R76-E80 IonicContact CZ-OE1 3.27Å; R76-E80 IonicContact NE-OE1 2.85Å; R76-E80 PolarHBondContact NE-OE1 3.34Å; R76-E80 IonicContact NH2-OE1 3.04Å; R76-E80 PolarHBondContact O-N 2.82Å; Q77-E80 PolarHBondContact O-N 3.36Å; Q77-E80 VanDerWaalsContact O-N 3.12Å; E80-R83 WeakPolarHBondContact O-CB 3.4Å; E80-R83 PolarHBondContact O-N 2.81Å; E80-L84 WeakPolarHBondContact O-CG 3.44Å; E80-L84 PolarHBondContact O-N 2.82Å; E80-F105 HydrophobicContact CG-CE2 3.79Å; E80-F105 HydrophobicContact CG-CZ 3.43Å; E80-F105 VanDerWaalsContact CG-CZ 3.43Å
81E88.9Confident81.7Confident85 Ų8566.1 Ų66.140%0.39733%0.332SS..Hα-helixtrans-60.3-46.6174.8-71.5172.7-173.200111.3Q77 R83 L84 M85Q77-E81 WeakPolarHBondContact O-CG 3.47Å; Q77-E81 PolarHBondContact O-N 3.44Å; E81-R83 VanDerWaalsContact C-N 3.31Å; E81-R83 PolarHBondContact O-N 2.84Å; E81-L84 PolarHBondContact O-N 2.79Å; E81-M85 WeakPolarHBondContact O-CB 3.3Å; E81-M85 PolarHBondContact O-N 2.98Å
82A89.6Confident78.9Confident2 Ų268.8 Ų68.82%0.01736%0.36CS..Hα-helixtrans-61.7-38.4176.200000112.4L25 C46 F73 S78 M86L25-A82 HydrophobicContact CD1-CB 4.44Å; C46-A82 HydrophobicContact CB-CB 4Å; F73-A82 HydrophobicContact CD1-CB 4.43Å; F73-A82 HydrophobicContact CE1-CB 3.49Å; F73-A82 VanDerWaalsContact CE1-CB 3.49Å; F73-A82 HydrophobicContact CE2-CB 4.17Å; F73-A82 HydrophobicContact CZ-CB 3.34Å; S78-A82 WeakPolarHBondContact O-CB 3.33Å; S78-A82 PolarHBondContact O-N 3.19Å; A82-M86 WeakPolarHBondContact O-CB 3.33Å; A82-M86 VanDerWaalsContact O-CG 3.28Å; A82-M86 WeakPolarHBondContact O-CG 3.32Å; A82-M86 PolarHBondContact O-N 2.87Å; A82-M86 VanDerWaalsContact O-N 3.15Å
83R89.2Confident76.2Confident85 Ų8578 Ų7832%0.32140%0.403SS..Hα-helixtrans-63.1-48.5174.9178.1-175.6176.2-157.4-2.8111.3L25 A79 E80 E81 M86 Q87 L103L25-R83 HydrophobicContact CD1-CB 4.13Å; L25-R83 HydrophobicContact CD2-CB 4.37Å; A79-R83 WeakPolarHBondContact O-CB 3.18Å; A79-R83 PolarHBondContact O-N 3.22Å; E80-R83 WeakPolarHBondContact O-CB 3.4Å; E80-R83 PolarHBondContact O-N 2.81Å; E81-R83 VanDerWaalsContact C-N 3.31Å; E81-R83 PolarHBondContact O-N 2.84Å; R83-M86 PolarHBondContact O-N 3.42Å; R83-Q87 HydrophobicContact CG-CG 4.44Å; R83-Q87 VanDerWaalsContact NE-NE2 3.15Å; R83-Q87 WeakPolarHBondContact O-CB 3.07Å; R83-Q87 VanDerWaalsContact O-CG 3.3Å; R83-Q87 WeakPolarHBondContact O-CG 3.43Å; R83-Q87 PolarHBondContact O-N 2.9Å; R83-L103 HydrophobicContact CG-CB 4.04Å; R83-L103 PolarHBondContact NE-O 2.82Å
84L86.5Confident73.4Confident116 Ų11682.3 Ų82.361%0.60744%0.438SS*.Hα-helixtrans-62.2-46.7179.4-73.2170.5000111.6E80 E81 M86 Q87 A88E80-L84 WeakPolarHBondContact O-CG 3.44Å; E80-L84 PolarHBondContact O-N 2.82Å; E81-L84 PolarHBondContact O-N 2.79Å; L84-M86 VanDerWaalsContact C-N 3.27Å; L84-M86 PolarHBondContact O-N 2.87Å; L84-Q87 PolarHBondContact O-N 2.7Å; L84-A88 WeakPolarHBondContact O-CB 3.36Å; L84-A88 PolarHBondContact O-N 2.81Å
85M82.9Confident70.7Confident106 Ų10682.4 Ų82.452%0.52246%0.457SS..Hα-helixtrans-58.4-40.6179.2-175.7176.367.400112.1C46 E81 R89C46-M85 HydrophobicContact CB-CE 4.39Å; C46-M85 WeakPolarHBondContact SG-CE 3.45Å; E81-M85 WeakPolarHBondContact O-CB 3.3Å; E81-M85 PolarHBondContact O-N 2.98Å; M85-R89 PolarHBondContact O-N 2.84Å
86M77.1Confident68.1Low18 Ų1887.3 Ų87.39%0.08948%0.479CS..Hα-helixtrans-79.7-36.1-178.2-74.7-65.1-67.400113.4L42 F43 A82 R83 L84 A88 R89 S90 L103L42-M86 HydrophobicContact CD1-CE 3.62Å; L42-M86 HydrophobicContact CD1-SD 4.21Å; L42-M86 HydrophobicContact CD2-CE 3.58Å; L42-M86 HydrophobicContact CG-CE 3.56Å; L42-M86 HydrophobicContact CG-SD 4.33Å; F43-M86 HydrophobicContact CE1-CG 4.03Å; F43-M86 HydrophobicContact CZ-CE 4.38Å; F43-M86 HydrophobicContact CZ-CG 4.49Å; A82-M86 WeakPolarHBondContact O-CB 3.33Å; A82-M86 VanDerWaalsContact O-CG 3.28Å; A82-M86 WeakPolarHBondContact O-CG 3.32Å; A82-M86 PolarHBondContact O-N 2.87Å; A82-M86 VanDerWaalsContact O-N 3.15Å; R83-M86 PolarHBondContact O-N 3.42Å; L84-M86 VanDerWaalsContact C-N 3.27Å; L84-M86 PolarHBondContact O-N 2.87Å; M86-A88 VanDerWaalsContact C-N 3.32Å; M86-R89 WeakPolarHBondContact O-CB 2.88Å; M86-R89 PolarHBondContact O-N 2.73Å; M86-S90 PolarHBondContact O-N 3.19Å; M86-L103 HydrophobicContact CB-CD1 3.18Å; M86-L103 HydrophobicContact CG-CD1 3.89Å
87Q71.8Confident65.7Low64 Ų6490.3 Ų90.330%0.29950%0.502SS..Hα-helixtrans-64-40.1172.9-73.9-177.6-1.200111R83 L84 R89 S90 I91 L103R83-Q87 HydrophobicContact CG-CG 4.44Å; R83-Q87 VanDerWaalsContact NE-NE2 3.15Å; R83-Q87 WeakPolarHBondContact O-CB 3.07Å; R83-Q87 VanDerWaalsContact O-CG 3.3Å; R83-Q87 WeakPolarHBondContact O-CG 3.43Å; R83-Q87 PolarHBondContact O-N 2.9Å; L84-Q87 PolarHBondContact O-N 2.7Å; Q87-R89 VanDerWaalsContact C-N 3.25Å; Q87-R89 PolarHBondContact O-N 3.26Å; Q87-S90 PolarHBondContact O-N 2.85Å; Q87-S90 VanDerWaalsContact O-N 3.09Å; Q87-S90 PolarHBondContact O-OG 2.75Å; Q87-I91 PolarHBondContact O-N 3.1Å; Q87-L103 PolarHBondContact NE2-O 3.48Å
88A59.4Low63.5Low66 Ų6689.7 Ų89.755%0.54551%0.509SS..Hα-helixtrans-59.7-36.4173.500000112.3L84 M86 S90 I91L84-A88 WeakPolarHBondContact O-CB 3.36Å; L84-A88 PolarHBondContact O-N 2.81Å; M86-A88 VanDerWaalsContact C-N 3.32Å; A88-S90 PolarHBondContact O-N 2.95Å; A88-I91 PolarHBondContact O-N 2.9Å
89R55.7Low62Low191 Ų19195.6 Ų95.672%0.72154%0.536SS*.Hα-helixtrans-68.1-21.3177.5-148.8176.7-166.2-179.74113.9M85 M86 Q87M85-R89 PolarHBondContact O-N 2.84Å; M86-R89 WeakPolarHBondContact O-CB 2.88Å; M86-R89 PolarHBondContact O-N 2.73Å; Q87-R89 VanDerWaalsContact C-N 3.25Å; Q87-R89 PolarHBondContact O-N 3.26Å
90S52Low60.7Low64 Ų6498.5 Ų98.545%0.44856%0.56SS.*Hα-helixtrans-88.4-10.4176.567.20000114.3M86 Q87 A88M86-S90 PolarHBondContact O-N 3.19Å; Q87-S90 PolarHBondContact O-N 2.85Å; Q87-S90 VanDerWaalsContact O-N 3.09Å; Q87-S90 PolarHBondContact O-OG 2.75Å; A88-S90 PolarHBondContact O-N 2.95Å
91I48.5Very low60.2Low143 Ų14397.4 Ų97.473%0.73356%0.556SS**Hα-helixtrans-104.8-10.2-174.3-66.5171000112.3Q87 A88 E93Q87-I91 PolarHBondContact O-N 3.1Å; A88-I91 PolarHBondContact O-N 2.9Å; I91-E93 PolarHBondContact O-N 3.37Å
92G35.5Very low60Low57 Ų57100.3 Ų100.359%0.58856%0.563SS**SBendtrans-88.5107.9-178.300000114.8
93E35.6Very low60.1Low194 Ų194100.4 Ų100.491%0.90756%0.563SS**SBendtrans61.5124.3157-56.3-164.2160.600119.5I91I91-E93 PolarHBondContact O-N 3.37Å
94A33.5Very low60.2Low90 Ų90100.3 Ų100.374%0.74457%0.566SS**  trans85.597.4177.500000116.4N96A94-N96 VanDerWaalsContact C-N 3.3Å; A94-N96 PolarHBondContact O-N 3.2Å
95G35.1Very low60.5Low91 Ų9197.2 Ų97.294%0.93855%0.548SS*.SBendtrans-73.264-177.200000115.7
96N33.9Very low60.9Low153 Ų15392.6 Ų92.682%0.81853%0.527SS*.  trans-160.241.5166.2-141.7-10.9000114.5A94A94-N96 VanDerWaalsContact C-N 3.3Å; A94-N96 PolarHBondContact O-N 3.2Å
97L40.6Very low61.4Low158 Ų158104 Ų10483%0.82757%0.569SS**  trans-91.1124.3172.3-115.277.1000111.4Q99L97-Q99 PolarHBondContact O-N 3.3Å
98P45.1Very low62.1Low118 Ų118104.7 Ų104.777%0.76658%0.581SS**SBendtrans-71.9123.317629.9-30000109
99Q56.9Low63.3Low129 Ų129102.2 Ų102.260%0.60356%0.558SS**SBendtrans6583.1166.7-158.316518.400116L97 I101L97-Q99 PolarHBondContact O-N 3.3Å; Q99-I101 PolarHBondContact O-N 3.27Å
100A65.9Low64.2Low61 Ų6194.5 Ų94.550%0.50453%0.533SS..PPolyproline II helixtrans-59.1133.1170.900000111.9R102A100-R102 PolarHBondContact O-N 3.37Å
101I80.1Confident64.8Low54 Ų54101.5 Ų101.528%0.27756%0.555SS.*PPolyproline II helixtrans-65.2125.6172.7-61.9175.2000108.5V27 S28 L30 L42 Q99V27-I101 HydrophobicContact CG1-CG2 3.48Å; V27-I101 VanDerWaalsContact CG1-CG2 3.48Å; S28-I101 CarbonylContact O-C 3.59Å; S28-I101 WeakPolarHBondContact O-CA 3.28Å; L30-I101 HydrophobicContact CD2-CD1 3.99Å; L30-I101 HydrophobicContact CD2-CG1 4.21Å; L30-I101 HydrophobicContact CD2-CG2 4.35Å; L42-I101 HydrophobicContact CD2-CD1 4.1Å; Q99-I101 PolarHBondContact O-N 3.27Å
102R85.9Confident65.1Low147 Ų14798.3 Ų98.356%0.55554%0.542SS*.EExtended strand (participates in β ladder)trans-103.5132.4179.3-70.2178.161.7-168.1-2.8110.7S28 A100 E104S28-R102 PolarHBondContact N-O 3.16Å; S28-R102 PolarHBondContact O-N 3.23Å; S28-R102 WeakPolarHBondContact OG-CB 3.46Å; A100-R102 PolarHBondContact O-N 3.37Å; R102-E104 IonicContact CZ-OE1 2.83Å; R102-E104 IonicContact NE-OE1 3.44Å; R102-E104 IonicContact NH2-OE1 3.49Å; R102-E104 PolarHBondContact NH2-OE1 3.29Å
103L91.2Very high65.2Low4 Ų4100.6 Ų100.62%0.02155%0.549CS..EExtended strand (participates in β ladder)trans-119.3120.2-179.5-72.7154.7000110.3L25 F26 V27 F43 R83 M86 Q87L25-L103 HydrophobicContact CB-CD2 4.2Å; L25-L103 HydrophobicContact CD1-CD2 3.99Å; F26-L103 WeakPolarHBondContact O-CA 3.46Å; V27-L103 HydrophobicContact CB-CD2 4.35Å; V27-L103 HydrophobicContact CG1-CD2 4.25Å; V27-L103 HydrophobicContact CG2-CD2 3.71Å; F43-L103 HydrophobicContact CE1-CD1 4.49Å; F43-L103 HydrophobicContact CE1-CD2 4.09Å; F43-L103 HydrophobicContact CZ-CD1 4.31Å; F43-L103 HydrophobicContact CZ-CD2 3.64Å; R83-L103 HydrophobicContact CG-CB 4.04Å; R83-L103 PolarHBondContact NE-O 2.82Å; M86-L103 HydrophobicContact CB-CD1 3.18Å; M86-L103 HydrophobicContact CG-CD1 3.89Å; Q87-L103 PolarHBondContact NE2-O 3.48Å
104E91.5Very high65.5Low82 Ų82102.5 Ų102.538%0.38355%0.548SS..EExtended strand (participates in β ladder)trans-134.5158.7177.5-68.1178.8-171.200109.2L25 F26 R102 A106L25-E104 CarbonylContact C-O 3.55Å; L25-E104 WeakPolarHBondContact CA-O 3.29Å; F26-E104 PolarHBondContact N-O 3.11Å; F26-E104 PolarHBondContact O-N 3.19Å; F26-E104 VanDerWaalsContact O-N 3.11Å; R102-E104 IonicContact CZ-OE1 2.83Å; R102-E104 IonicContact NE-OE1 3.44Å; R102-E104 IonicContact NH2-OE1 3.49Å; R102-E104 PolarHBondContact NH2-OE1 3.29Å; E104-A106 PolarHBondContact O-N 2.96Å
105F93.2Very high65.4Low52 Ų52106.8 Ų106.823%0.22855%0.552CS.*EExtended strand (participates in β ladder)trans-65.2136.1171-83.3-73.7000110.3V22 L25 R76 A79 E80V22-F105 HydrophobicContact CB-CD1 4.25Å; V22-F105 HydrophobicContact CG1-CB 4.42Å; V22-F105 HydrophobicContact CG1-CD1 3.98Å; V22-F105 WeakPolarHBondContact O-CD1 3.31Å; V22-F105 WeakPolarHBondContact O-CE1 3.42Å; L25-F105 HydrophobicContact CD2-CD1 4.06Å; L25-F105 HydrophobicContact CD2-CE1 4.08Å; L25-F105 HydrophobicContact CD2-CG 4.44Å; L25-F105 HydrophobicContact CD2-CZ 4.49Å; R76-F105 HydrophobicContact CG-CE1 3.95Å; R76-F105 HydrophobicContact CG-CZ 3.72Å; A79-F105 HydrophobicContact CB-CE1 3.97Å; A79-F105 HydrophobicContact CB-CZ 4.41Å; E80-F105 HydrophobicContact CG-CE2 3.79Å; E80-F105 HydrophobicContact CG-CZ 3.43Å; E80-F105 VanDerWaalsContact CG-CZ 3.43Å
106A91.3Very high65.1Low8 Ų8112 Ų1127%0.06655%0.549CS..  trans-63.4161.1173.300000110.3V22 T24 F26 F70 E104 S108V22-A106 HydrophobicContact CG1-CB 4.36Å; V22-A106 WeakPolarHBondContact CG1-O 3.12Å; T24-A106 HydrophobicContact CG2-CB 3.73Å; T24-A106 VanDerWaalsContact O-CB 3.3Å; T24-A106 WeakPolarHBondContact O-CB 3.18Å; T24-A106 PolarHBondContact O-N 3.32Å; F26-A106 HydrophobicContact CB-CB 4.46Å; F70-A106 HydrophobicContact CD1-CB 4.27Å; F70-A106 HydrophobicContact CE1-CB 4.48Å; E104-A106 PolarHBondContact O-N 2.96Å; A106-S108 WeakPolarHBondContact CB-O 3.34Å; A106-S108 PolarHBondContact O-N 3.29Å
107R87Confident65.1Low258 Ų258113.7 Ų113.797%0.97455%0.552SS**SBendtrans-66.6-22.4175.5-68.2-173.9175.9-176.9-2.7113.1
108S87.2Confident64.6Low79 Ų79110.3 Ų110.355%0.55255%0.547SS*.SBendtrans-160.4164.6178.2660000109.2A106A106-S108 WeakPolarHBondContact CB-O 3.34Å; A106-S108 PolarHBondContact O-N 3.29Å
109N84.9Confident63.8Low13 Ų13110 Ų1107%0.0755%0.547CS..  trans-64.5142.9171-70.3-31000111.3E21 V22 R23 T24 K111E21-N109 PolarHBondContact O-ND2 2.94Å; V22-N109 VanDerWaalsContact CA-OD1 3.3Å; V22-N109 WeakPolarHBondContact CA-OD1 3.43Å; R23-N109 WeakPolarHBondContact CG-OD1 3.3Å; R23-N109 PolarHBondContact N-OD1 3.38Å; T24-N109 PolarHBondContact N-OD1 3.29Å; T24-N109 WeakPolarHBondContact OG1-CA 2.86Å; N109-K111 PolarHBondContact O-N 3.13Å
110T73.5Confident63.1Low30 Ų30109.3 Ų109.318%0.18455%0.554CS.*  trans-69.3131.4174.3590000109.9T24 F70 T72 V112T24-T110 HydrophobicContact CG2-CG2 3.67Å; T24-T110 PolarHBondContact OG1-N 2.67Å; T24-T110 VanDerWaalsContact OG1-N 3.13Å; F70-T110 HydrophobicContact CB-CG2 3.59Å; F70-T110 HydrophobicContact CD1-CG2 4.17Å; F70-T110 HydrophobicContact CG-CG2 3.99Å; T72-T110 PolarHBondContact OG1-OG1 3.17Å; T110-V112 PolarHBondContact O-N 2.63Å; T110-V112 VanDerWaalsContact OG1-CG2 3.25Å; T110-V112 WeakPolarHBondContact OG1-CG2 3.15Å
111K64.2Low61.7Low211 Ų211111 Ų11192%0.91757%0.568SS**  trans-75.579.8172.6-66.5-175.4-179.4-1760109N109 S113N109-K111 PolarHBondContact O-N 3.13Å; K111-S113 PolarHBondContact O-N 3.45Å
112V55.4Low59.7Low76 Ų76116 Ų11646%0.46160%0.595SS.*  trans-85.699.4171.7-142.90000107.2T110 R114T110-V112 PolarHBondContact O-N 2.63Å; T110-V112 VanDerWaalsContact OG1-CG2 3.25Å; T110-V112 WeakPolarHBondContact OG1-CG2 3.15Å; V112-R114 PolarHBondContact O-N 3.2Å; V112-R114 VanDerWaalsContact O-N 3.1Å
113S37.2Very low57.6Low104 Ų104114.2 Ų114.273%0.72760%0.603SS**  trans-58.8113.9168.3165.60000108.1K111 Q115K111-S113 PolarHBondContact O-N 3.45Å; S113-Q115 VanDerWaalsContact C-N 3.34Å; S113-Q115 PolarHBondContact O-N 3.27Å
114R41.3Very low54.9Low234 Ų234119.5 Ų119.588%0.88364%0.641SS**  trans-58.796.7167-81.3-173.3-117.1177.5-2.1108.4V112 K116V112-R114 PolarHBondContact O-N 3.2Å; V112-R114 VanDerWaalsContact O-N 3.1Å; R114-K116 VanDerWaalsContact C-N 3.3Å; R114-K116 PolarHBondContact O-N 2.71Å
115Q32.6Very low52.5Low180 Ų180123.1 Ų123.184%0.84166%0.661SS**  trans-68.2101.3157.4-81.6-174.3-36.500106.6S113 Q117S113-Q115 VanDerWaalsContact C-N 3.34Å; S113-Q115 PolarHBondContact O-N 3.27Å; Q115-Q117 PolarHBondContact O-N 3.19Å
116K28.4Very low49.9Very low201 Ų201126.3 Ų126.387%0.87469%0.687SS**  trans-53.999.9171.7-168.4174.9-176.8179.90107.6R114 A118R114-K116 VanDerWaalsContact C-N 3.3Å; R114-K116 PolarHBondContact O-N 2.71Å; K116-A118 VanDerWaalsContact C-N 3.35Å; K116-A118 PolarHBondContact O-N 2.92Å
117Q33.1Very low47.2Very low188 Ų188135.1 Ų135.188%0.87973%0.725SS**  trans-70.395.3176.8-157.9171.98.800107.1Q115 S119Q115-Q117 PolarHBondContact O-N 3.19Å; Q117-S119 PolarHBondContact O-N 2.99Å
118A31.4Very low44.8Very low87 Ų87130.9 Ų130.972%0.71972%0.721SS**  trans-67.7113.5164.500000107K116 P120K116-A118 VanDerWaalsContact C-N 3.35Å; K116-A118 PolarHBondContact O-N 2.92Å; A118-P120 VanDerWaalsContact O-CD 3.32Å; A118-P120 WeakPolarHBondContact O-CD 3.17Å
119S28Very low42.2Very low111 Ų111132.5 Ų132.578%0.77672%0.723SS**PPolyproline II helixtrans-60.7118.6172.845.90000110.3Q117Q117-S119 PolarHBondContact O-N 2.99Å
120P41Very low40Very low115 Ų115138 Ų13875%0.74776%0.757SS**PPolyproline II helixtrans-80.2126.7161.227.2-18.1000108.2A118 N122A118-P120 VanDerWaalsContact O-CD 3.32Å; A118-P120 WeakPolarHBondContact O-CD 3.17Å; P120-N122 PolarHBondContact O-N 3.17Å
121A36.6Very low38.1Very low97 Ų97145.5 Ų145.580%0.80278%0.783SS**PPolyproline II helixtrans-55.1125.617000000109.8P123A121-P123 WeakPolarHBondContact O-CD 3.45Å
122N38.3Very low37.1Very low158 Ų158140.9 Ų140.985%0.84577%0.774SS**PPolyproline II helixtrans-60.7123.6175.1-100-10.2000110.5P120P120-N122 PolarHBondContact O-N 3.17Å
123P42.5Very low36.2Very low111 Ų111144.1 Ų144.172%0.72179%0.789SS**PPolyproline II helixtrans-76.3118.8148.930.1-25000107.6A121 L125A121-P123 WeakPolarHBondContact O-CD 3.45Å; P123-L125 PolarHBondContact O-N 3.44Å
124S33.9Very low36.2Very low115 Ų115144.5 Ų144.580%0.80479%0.789SS**  trans-38.6118.1171.547.90000112.9
125L41.5Very low36.3Very low157 Ų157140 Ų14082%0.82278%0.783SS**PPolyproline II helixtrans-93.9140159.8-72.2176000108.9P123P123-L125 PolarHBondContact O-N 3.44Å
126P38.5Very low36.6Very low119 Ų119141 Ų14177%0.77379%0.785SS**PPolyproline II helixtrans-71.7137.7-169.830-33.4000111.3L128P126-L128 PolarHBondContact O-N 2.95Å
127F35.5Very low37Very low193 Ų193138.4 Ų138.485%0.84679%0.785SS**PPolyproline II helixtrans-53.9122175.2-76.8-98.8000111.6N129F127-N129 PolarHBondContact O-N 3.1Å
128L35.6Very low37Very low170 Ų170131.6 Ų131.689%0.8977%0.766SS**  trans-76.397.2154.1-83.3172.2000107.4P126 V130P126-L128 PolarHBondContact O-N 2.95Å; L128-V130 PolarHBondContact O-N 3.23Å; L128-V130 VanDerWaalsContact O-N 3.13Å
129N33.9Very low37.1Very low112 Ų112132.9 Ų132.960%0.59977%0.77SS**  trans-7198.7171.2-125.342.5000108.5F127 Y131F127-N129 PolarHBondContact O-N 3.1Å; N129-Y131 PolarHBondContact O-N 2.82Å
130V36.9Very low37.9Very low129 Ų129137.7 Ų137.778%0.78277%0.772SS**  trans-82.2105.8161.5177.70000106.3L128 P132L128-V130 PolarHBondContact O-N 3.23Å; L128-V130 VanDerWaalsContact O-N 3.13Å; V130-P132 WeakPolarHBondContact O-CD 3.48Å
131Y34.4Very low37.7Very low188 Ų188140.1 Ų140.174%0.73778%0.778SS**PPolyproline II helixtrans-67.5124.4172.5-90-94.7000109.7N129N129-Y131 PolarHBondContact O-N 2.82Å
132P43.2Very low37.7Very low113 Ų113140.6 Ų140.673%0.73477%0.773SS**PPolyproline II helixtrans-79.3128.3164.888.8000109.1V130V130-P132 WeakPolarHBondContact O-CD 3.48Å
133N36.5Very low37.5Very low145 Ų145139.5 Ų139.578%0.77577%0.772SS**PPolyproline II helixtrans-57.1135.9171.7-87.9-31.5000111D135N133-D135 VanDerWaalsContact C-N 3.3Å; N133-D135 PolarHBondContact O-N 3.27Å
134P38.2Very low37.2Very low112 Ų112143 Ų14373%0.72778%0.781SS**SBendtrans-85.823-176.335-34.9000115.1
135D42.2Very low37.3Very low140 Ų140140.7 Ų140.775%0.74978%0.775SS**  trans-106.720-170.4-69.1-38.4000115.8N133N133-D135 VanDerWaalsContact C-N 3.3Å; N133-D135 PolarHBondContact O-N 3.27Å
136F39Very low37Very low201 Ų201142.4 Ų142.488%0.88278%0.779SS**  trans-130.872.3174.2-153.1-98.3000112.6
137V37.7Very low37Very low145 Ų145143.9 Ų143.988%0.87978%0.78SS**  trans-77124.8163.8-95.90000109.8
138G33.4Very low37.2Very low46 Ų46142.7 Ų142.747%0.47478%0.782SS.*  trans-174.641.9-18000000116.9
139S33.1Very low37.3Very low114 Ų114143.2 Ų143.280%0.79778%0.777SS**  trans39.676136.7660000122.2
140Y43.7Very low37.4Very low211 Ų211143.1 Ų143.183%0.82778%0.777SS**  trans-177.686.3143.551.4-85.5000113.3
141L37.2Very low37.4Very low167 Ų167144.6 Ų144.687%0.87478%0.775SS**  trans-169.5130.9143.9-139.462.9000111.6
142P37.4Very low37.7Very low106 Ų106139.8 Ų139.869%0.68877%0.765SS**  trans-81.3134.317432.4-29.9000111.1
143T32.7Very low37.7Very low136 Ų136136.1 Ų136.183%0.83474%0.744SS**  trans23.597.6143.4-53.30000117.6
144M36.1Very low37.8Very low185 Ų185134.3 Ų134.391%0.91173%0.734SS**  trans-144.3114.5153.1-75.3-62.7-171.500110
145G36Very low37.9Very low66 Ų66132 Ų13268%0.6873%0.725SS**  trans55.7102.414900000119.8D147G145-D147 PolarHBondContact O-N 2.86Å
146H35.8Very low37.7Very low192 Ų192127.4 Ų127.489%0.88970%0.703SS**SBendtrans-76.732173.3-173.5-90.3000114.2
147D38.9Very low37.7Very low150 Ų150123.4 Ų123.480%0.80268%0.683SS**  trans-11414-170.8-73.6-54.9000115.9G145G145-D147 PolarHBondContact O-N 2.86Å
148L39.1Very low38Very low168 Ų168120.2 Ų120.288%0.8867%0.672SS**  trans-117.733.4-173-136.179000116.1
149F37.8Very low38.4Very low181 Ų181121.6 Ų121.679%0.79468%0.679SS**  trans-12267.5167.3-137.8-91.8000111.6Q151F149-Q151 PolarHBondContact O-N 3.1Å; F149-Q151 VanDerWaalsContact O-N 3.07Å
150N37.1Very low38.8Very low111 Ų111122.1 Ų122.159%0.59467%0.669SS**  trans-75.297.7175.7-165.83000110.1T152 A153N150-T152 PolarHBondContact O-N 2.66Å; N150-T152 WeakPolarHBondContact OD1-CB 3.34Å; N150-T152 PolarHBondContact OD1-N 3.3Å; N150-T152 PolarHBondContact OD1-OG1 2.95Å; N150-A153 WeakPolarHBondContact O-CB 2.83Å; N150-A153 PolarHBondContact O-N 2.99Å
151Q35.9Very low38.7Very low160 Ų160117.1 Ų117.175%0.74866%0.656SS**Hα-helixtrans-47.6-22.2170.7-95.518050.500113.8F149 A153 L154 A155F149-Q151 PolarHBondContact O-N 3.1Å; F149-Q151 VanDerWaalsContact O-N 3.07Å; Q151-A153 PolarHBondContact O-N 3.28Å; Q151-L154 PolarHBondContact O-N 3.36Å; Q151-A155 PolarHBondContact O-N 3.3Å
152T41.6Very low38.5Very low87 Ų87112.2 Ų112.253%0.53465%0.646SS.*Hα-helixtrans-62.9-26.4176.6-470000113.3N150 S156N150-T152 PolarHBondContact O-N 2.66Å; N150-T152 WeakPolarHBondContact OD1-CB 3.34Å; N150-T152 PolarHBondContact OD1-N 3.3Å; N150-T152 PolarHBondContact OD1-OG1 2.95Å; T152-S156 PolarHBondContact O-OG 3.3Å
153A41.9Very low38.4Very low35 Ų35112.8 Ų112.829%0.28965%0.652SS.*Hα-helixtrans-68.9-48.7176.600000109.3N150 Q151 A155 S156 Y157N150-A153 WeakPolarHBondContact O-CB 2.83Å; N150-A153 PolarHBondContact O-N 2.99Å; Q151-A153 PolarHBondContact O-N 3.28Å; A153-A155 VanDerWaalsContact C-N 3.35Å; A153-A155 PolarHBondContact O-N 3.34Å; A153-S156 WeakPolarHBondContact O-CB 3.46Å; A153-S156 PolarHBondContact O-N 3.06Å; A153-Y157 WeakPolarHBondContact CA-OH 3.2Å; A153-Y157 HydrophobicContact CB-CE1 4.21Å; A153-Y157 WeakPolarHBondContact CB-OH 3.3Å; A153-Y157 WeakPolarHBondContact O-CD1 3.44Å; A153-Y157 WeakPolarHBondContact O-CE1 3.49Å; A153-Y157 WeakPolarHBondContact O-CE2 3.28Å; A153-Y157 PolarHBondContact O-OH 2.99Å
154L39.2Very low38.5Very low107 Ų107111.4 Ų111.456%0.5665%0.648SS**Hα-helixtrans-57.7-37.9177.3-99.7163.4000115.3Q151 S156 Y157Q151-L154 PolarHBondContact O-N 3.36Å; L154-S156 VanDerWaalsContact C-N 3.27Å; L154-S156 PolarHBondContact O-N 3.07Å; L154-Y157 HydrophobicContact CB-CE2 4.05Å; L154-Y157 HydrophobicContact CD2-CD2 3.86Å; L154-Y157 HydrophobicContact CD2-CE2 3.67Å; L154-Y157 HydrophobicContact CG-CD2 4.29Å; L154-Y157 HydrophobicContact CG-CE2 3.67Å; L154-Y157 PolarHBondContact N-OH 3.04Å; L154-Y157 WeakPolarHBondContact O-CD2 3.46Å
155A40.1Very low38.3Very low65 Ų65108.2 Ų108.254%0.53764%0.644SS.*Hα-helixtrans-68.2-24.8177.400000113.5Q151 A153Q151-A155 PolarHBondContact O-N 3.3Å; A153-A155 VanDerWaalsContact C-N 3.35Å; A153-A155 PolarHBondContact O-N 3.34Å
156S37.3Very low38Very low42 Ų42109.6 Ų109.629%0.29465%0.649SS.*Hα-helixtrans-78.1-30.4-177.1-58.30000112.8T152 A153 L154T152-S156 PolarHBondContact O-OG 3.3Å; A153-S156 WeakPolarHBondContact O-CB 3.46Å; A153-S156 PolarHBondContact O-N 3.06Å; L154-S156 VanDerWaalsContact C-N 3.27Å; L154-S156 PolarHBondContact O-N 3.07Å
157Y40.5Very low37.9Very low117 Ų117109.3 Ų109.346%0.45965%0.646SS.*Hα-helixtrans-83.2-25.6177.8-5.9-70.7000112.3A153 L154 A159 E160A153-Y157 WeakPolarHBondContact CA-OH 3.2Å; A153-Y157 HydrophobicContact CB-CE1 4.21Å; A153-Y157 WeakPolarHBondContact CB-OH 3.3Å; A153-Y157 WeakPolarHBondContact O-CD1 3.44Å; A153-Y157 WeakPolarHBondContact O-CE1 3.49Å; A153-Y157 WeakPolarHBondContact O-CE2 3.28Å; A153-Y157 PolarHBondContact O-OH 2.99Å; L154-Y157 HydrophobicContact CB-CE2 4.05Å; L154-Y157 HydrophobicContact CD2-CD2 3.86Å; L154-Y157 HydrophobicContact CD2-CE2 3.67Å; L154-Y157 HydrophobicContact CG-CD2 4.29Å; L154-Y157 HydrophobicContact CG-CE2 3.67Å; L154-Y157 PolarHBondContact N-OH 3.04Å; L154-Y157 WeakPolarHBondContact O-CD2 3.46Å; Y157-A159 PolarHBondContact O-N 3.33Å; Y157-E160 PolarHBondContact O-N 3.25Å
158A44.1Very low37.7Very low79 Ų79106.7 Ų106.765%0.65364%0.639SS**Hα-helixtrans-67.6-21.6174.200000113.1
159A41.7Very low37.7Very low75 Ų75105 Ų10562%0.6264%0.636SS**THydrogen-bonded Turntrans-79.5-11.1176.900000114.2Y157Y157-A159 PolarHBondContact O-N 3.33Å
160E41.1Very low37.6Very low125 Ų125104.6 Ų104.658%0.58464%0.637SS**THydrogen-bonded Turntrans-92.22.5-176.4-76.1-161.1129.900114.7K35 Y157K35-E160 IonicContact NZ-OE1 2.73Å; K35-E160 PolarHBondContact NZ-OE1 3.38Å; Y157-E160 PolarHBondContact O-N 3.25Å
161L41.5Very low37.7Very low105 Ų105103.1 Ų103.155%0.5564%0.64SS.*SBendtrans-116.160177.9-65.2170.1000111.5R317L161-R317 HydrophobicContact CD1-CG 3.69Å
162G33.2Very low37.7Very low65 Ų65104.4 Ų104.467%0.6764%0.643SS**  trans-177.656.2-179.700000112.4
163S35.2Very low37.6Very low117 Ų117107.8 Ų107.882%0.81866%0.657SS**  trans-123.674169.5-75.80000109.4
164S33.8Very low37.3Very low107 Ų107114.5 Ų114.575%0.74868%0.683SS**SBendtrans-143.6118.6158.7-39.50000105.7
165S33.6Very low37.2Very low119 Ų119112.8 Ų112.883%0.83269%0.691SS**SBendtrans70.694.5176.667.30000118.1
166A29.4Very low37Very low94 Ų94117.9 Ų117.978%0.77771%0.708SS**  41.997129.600000118.6
167F34Very low36.9Very low186 Ų186125 Ų12582%0.81674%0.737SS**  trans-145.9118.7138.3-121.8-87.7000109T169F167-T169 PolarHBondContact O-N 3.08Å; F167-T169 VanDerWaalsContact O-N 3.17Å
168S33Very low36.6Very low96 Ų96124.2 Ų124.267%0.67175%0.754SS**  trans-55.6116.8176.9-75.20000110.8Q170S168-Q170 PolarHBondContact O-N 3.41Å
169T39.8Very low36Very low133 Ų133130.4 Ų130.482%0.81677%0.767SS**THydrogen-bonded Turntrans-68.713.5172.5-14.90000113.4F167F167-T169 PolarHBondContact O-N 3.08Å; F167-T169 VanDerWaalsContact O-N 3.17Å
170Q36.5Very low35.8Very low172 Ų172135.6 Ų135.680%0.80478%0.778SS**THydrogen-bonded Turntrans-95.8-10.1176.4-79.2-160.6-4200114.6S168S168-Q170 PolarHBondContact O-N 3.41Å
171A37.8Very low35.5Very low79 Ų79135 Ų13565%0.65378%0.783SS**SBendtrans-97.5-8.3-179.700000114.8
172F37.4Very low35.3Very low188 Ų188138.6 Ų138.683%0.82580%0.797SS**SBendtrans-90.2-2.9-175.3-167.6-107.7000114.2
173L38.7Very low35.4Very low157 Ų157139.3 Ų139.382%0.82279%0.789SS**SBendtrans-120.313.5-179-76.1173.9000115
174Q36.6Very low35.4Very low177 Ų177144.4 Ų144.483%0.82779%0.792SS**SBendtrans-107.59.1174.8-76.3-173.7-24.300114.6
175G36.4Very low35.5Very low71 Ų71142.6 Ų142.673%0.73279%0.791SS**SBendtrans-98.15.5-175.700000117.1
176L35.9Very low35.7Very low171 Ų171142.7 Ų142.790%0.89579%0.791SS**SBendtrans-129.449.7-171.3-77.4169000112.7
177Q35.4Very low36.2Very low193 Ų193143.6 Ų143.690%0.90279%0.787SS**  trans-151.397.1165.1-64.4-170.41.800109.2
178A33.4Very low36.5Very low100 Ų100140.9 Ų140.983%0.82679%0.785SS**  trans169.268148.400000109.3
179F32.3Very low36.7Very low208 Ų208139.9 Ų139.991%0.91279%0.791SS**  trans-92.486.3154.8-129.5-89000105.8
180Q36.6Very low36.8Very low184 Ų184142.2 Ų142.286%0.8679%0.792SS**  trans-135.3113.1162.4-85.3-120.5-66.600108.7
181V35.6Very low36.8Very low114 Ų114139.4 Ų139.469%0.69179%0.788SS**  trans-47.1137.3164.5-1710000109.7
182H36.5Very low37.1Very low180 Ų180143.8 Ų143.883%0.83380%0.799SS**  trans-178.9149.9132-95.980000110.6
183P36.4Very low37Very low79 Ų79144.1 Ų144.151%0.51380%0.801SS.*  trans-113.1169.7-161.2177.9000114.7
184Y35Very low36.8Very low225 Ų225141.4 Ų141.488%0.88280%0.801SS**  trans92.4129.9158.3-48.2-69.3000121.1
185G35.4Very low36.9Very low69 Ų69137.2 Ų137.271%0.71180%0.797SS**  trans106.698.9155.600000115.6
186S38.3Very low36.8Very low121 Ų121140.8 Ų140.885%0.84680%0.799SS**  57.7137.995.7-86.90000115.1
187V40Very low37.2Very low113 Ų113140.7 Ų140.769%0.68580%0.798SS**  cis-176139.49128.80000107.2
188T39.7Very low37.3Very low128 Ų128136.9 Ų136.979%0.78579%0.79SS**  trans51.7136.6151.363.90000124
189G37.1Very low37.7Very low76 Ų76140.4 Ų140.478%0.78479%0.789SS**  trans168120153.800000114.5
190H41.1Very low38.1Very low182 Ų182136 Ų13684%0.84378%0.78SS**  trans-82.4167.3-164.6-65.3-82.4000116.7
191P38.4Very low37.9Very low112 Ų112131.2 Ų131.273%0.72777%0.771SS**  trans-97162.4-177.238-31.8000114.1
192I42.4Very low38.1Very low172 Ų172133.8 Ų133.888%0.88278%0.78SS**  trans-132.8140.8170.6-63.6-170.2000111.7
193F36.5Very low38Very low195 Ų195131.2 Ų131.286%0.85578%0.779SS**  trans-83.6176.9-172.9-90.7-98.3000115.6
194A34.2Very low38Very low99 Ų99132 Ų13282%0.81879%0.793SS**  trans84.1147150.500000116.4
195A37.9Very low38.4Very low90 Ų90128.2 Ų128.274%0.74479%0.793SS**  cis-169.3131.9-4.500000106.9
196N33.9Very low38.2Very low145 Ų145132.3 Ų132.378%0.77580%0.799SS**  72.8119.7104.8-158.654.8000116.3
197L44.4Very low38.2Very low169 Ų169132 Ų13289%0.88580%0.797SS**  trans-172.2141.2140.5-94.1142.7000110.8
198P37.7Very low37.9Very low114 Ų114129.5 Ų129.574%0.7479%0.794SS**  trans-107.7153.7-16638.8-29.3000114.7
199H42.1Very low37.8Very low173 Ų173135.1 Ų135.180%0.80180%0.8SS**  trans-153.3108.1160.7-176.5-66.7000113.4
200V40.2Very low38.2Very low117 Ų117138.4 Ų138.471%0.70980%0.799SS**  trans25.5113.7138.8-165.30000121.6
201A33.3Very low37.8Very low83 Ų83136.3 Ų136.369%0.68679%0.794SS**  trans51123.6134.400000124.6
202L40.3Very low37.7Very low168 Ų168140.6 Ų140.688%0.8880%0.797SS**  174.4155.1109-88.8158.7000110.9
203P33.3Very low37.3Very low125 Ų125139 Ų13981%0.81279%0.79SS**  trans-89131.9-151.734.6-33.6000113.3
204A38.1Very low37.2Very low96 Ų96136 Ų13679%0.79378%0.783SS**  trans-120.2130.6164.800000109.3
205T42.8Very low37.2Very low145 Ų145135.7 Ų135.789%0.8978%0.775SS**  trans-55.5132.2-174.4390000112.7S207T205-S207 PolarHBondContact O-N 3.25Å
206N31.2Very low37.4Very low155 Ų155138.9 Ų138.983%0.82978%0.78SS**  trans-79.7108.1-174.1-169.930.2000110.4
207S38.5Very low38Very low115 Ų115140.5 Ų140.580%0.80479%0.788SS**  trans-123.2102.1162.3-67.40000107.1T205 R209T205-S207 PolarHBondContact O-N 3.25Å; S207-R209 PolarHBondContact O-N 3.32Å
208G32.4Very low38.5Very low61 Ų61140.9 Ų140.963%0.62979%0.785SS**  trans-62.5116.5-159.800000114.4I210G208-I210 PolarHBondContact O-N 2.99Å
209R37.6Very low39.8Very low245 Ų245138.2 Ų138.293%0.92577%0.769SS**  trans-78.899.8152.8-75.3-174.8172.6178.9-1107.7S207 N211S207-R209 PolarHBondContact O-N 3.32Å; R209-N211 PolarHBondContact O-N 2.9Å
210I45.5Very low41.9Very low145 Ų145135.5 Ų135.574%0.74477%0.765SS**  trans-75.2107.6171.9-57.2177.8000107.5G208 Y212G208-I210 PolarHBondContact O-N 2.99Å; I210-Y212 PolarHBondContact O-N 2.84Å
211N33.9Very low44.2Very low138 Ų138133.5 Ų133.574%0.73875%0.754SS**  trans-66.4115.8173.7-127.412.2000109R209 N213R209-N211 PolarHBondContact O-N 2.9Å; N211-N213 PolarHBondContact O-N 3.41Å; N211-N213 VanDerWaalsContact O-N 3.1Å
212Y35.2Very low47Very low202 Ų202130.3 Ų130.379%0.79273%0.727SS**  trans-7983.3171.2-79.9-89000109.7I210I210-Y212 PolarHBondContact O-N 2.84Å
213N34.9Very low49.6Very low138 Ų138123 Ų12374%0.73869%0.69SS**  trans-95.7104.3164-92.4-12.1000109.8N211 S215N211-N213 PolarHBondContact O-N 3.41Å; N211-N213 VanDerWaalsContact O-N 3.1Å; N213-S215 PolarHBondContact O-N 2.78Å
214N34Very low52.5Low133 Ų133117.1 Ų117.171%0.71165%0.652SS**  trans-86.380175.4-172.743000109
215S34.9Very low55.3Low93 Ų93112.5 Ų112.565%0.6561%0.614SS**  trans-178.987.2172.547.60000113.3N213N213-S215 PolarHBondContact O-N 2.78Å
216N40.7Very low57.7Low157 Ų157108 Ų10884%0.8458%0.582SS**  trans167.2130.9133.6-97.7-10.4000110.6Q218N216-Q218 PolarHBondContact O-N 3.34Å
217N47.6Very low60.7Low178 Ų178100.7 Ų100.795%0.95254%0.543SS*.SBendtrans-68.146.7-176.3-77.1-15.6000114.9
218Q53.6Low63.3Low178 Ų17896 Ų9683%0.83251%0.511SS*.  trans-124.591.3165.9-75.5-17810.200107.8N216 T220N216-Q218 PolarHBondContact O-N 3.34Å; Q218-T220 PolarHBondContact O-N 3.39Å
219S65.1Low66.1Low58 Ų5895.7 Ų95.741%0.40650%0.495SS..PPolyproline II helixtrans-67.6117.217756.30000109.3Y297S219-Y297 WeakPolarHBondContact OG-CD2 3.26Å
220T86.1Confident68.6Low116 Ų11684.1 Ų84.171%0.71245%0.451SS*.PPolyproline II helixtrans-52.3132.4173-530000109.8Q218 C222Q218-T220 PolarHBondContact O-N 3.39Å; T220-C222 PolarHBondContact O-N 3.34Å
221P89.9Confident70.5Confident74 Ų7477.4 Ų77.448%0.48142%0.418SS..PPolyproline II helixtrans-51.6129.5178.7-27.734.7000111.8I270 Y297P221-I270 HydrophobicContact CB-CG2 3.55Å; P221-Y297 HydrophobicContact CB-CE1 4.31Å; P221-Y297 HydrophobicContact CB-CE2 4.31Å; P221-Y297 HydrophobicContact CG-CE2 4.41Å
222C91.8Very high73Confident17 Ų1774.6 Ų74.612%0.11541%0.413CS..  trans-135.5146.4-176.1-166.80000109.6T220 T224 Y297T220-C222 PolarHBondContact O-N 3.34Å; C222-T224 PolarHBondContact O-N 3.04Å; C222-Y297 HydrophobicContact CB-CD1 4.27Å; C222-Y297 VanDerWaalsContact O-CD1 3.27Å; C222-Y297 WeakPolarHBondContact O-CD1 3.46Å
223S93.7Very high75.4Confident15 Ų1570.4 Ų70.411%0.10541%0.405CS..SBendtrans-72.7-4.9173.662.60000112.8Y267S223-Y267 PolarHBondContact O-N 2.92Å
224T95.1Very high77.9Confident0 Ų064 Ų640%037%0.371CS..EExtended strand (participates in β ladder)trans-110.5129.5174.9-54.70000109.9C222 F264 A265 A298 M302C222-T224 PolarHBondContact O-N 3.04Å; T224-F264 HydrophobicContact CG2-CB 4.25Å; T224-F264 HydrophobicContact CG2-CD1 4.17Å; T224-A265 CarbonylContact C-O 3.59Å; T224-A265 WeakPolarHBondContact CA-O 3.41Å; T224-A298 HydrophobicContact CG2-CB 3.73Å; T224-A298 WeakPolarHBondContact O-CB 3.37Å; T224-A298 PolarHBondContact O-N 2.68Å; T224-M302 HydrophobicContact CG2-CB 3.77Å; T224-M302 PolarHBondContact OG1-N 2.73Å
225L95.9Very high80.6Confident0 Ų064.5 Ų64.50%037%0.366CS..EExtended strand (participates in β ladder)trans-99.9138.1176-57.7179.9000110.1F243 F264 A265 Y267 A273 A276 M277 I295 Y297L225-F243 HydrophobicContact CD1-CE1 4.34Å; L225-F264 CarbonylContact O-C 3.58Å; L225-F264 VanDerWaalsContact O-CA 3.25Å; L225-F264 WeakPolarHBondContact O-CA 3.38Å; L225-A265 PolarHBondContact N-O 3.47Å; L225-A265 PolarHBondContact O-N 3.5Å; L225-Y267 HydrophobicContact CD1-CD2 4.23Å; L225-Y267 HydrophobicContact CD1-CE2 3.82Å; L225-Y267 HydrophobicContact CG-CD2 4.47Å; L225-Y267 HydrophobicContact CG-CE2 4.47Å; L225-A273 WeakPolarHBondContact CD1-O 3.46Å; L225-A273 HydrophobicContact CD2-CB 3.97Å; L225-A273 HydrophobicContact CG-CB 4.12Å; L225-A276 HydrophobicContact CD1-CB 4.2Å; L225-M277 HydrophobicContact CD1-CB 3.99Å; L225-M277 HydrophobicContact CD2-CB 3.89Å; L225-M277 HydrophobicContact CD2-CG 4.37Å; L225-M277 HydrophobicContact CD2-SD 4.24Å; L225-I295 HydrophobicContact CB-CG2 3.91Å; L225-I295 HydrophobicContact CD1-CG2 4.02Å; L225-I295 HydrophobicContact CD2-CG2 4.42Å; L225-I295 HydrophobicContact CG-CG2 4.34Å; L225-Y297 HydrophobicContact CD2-CD1 3.98Å; L225-Y297 HydrophobicContact CD2-CE1 4.31Å
226F95Very high83.2Confident51 Ų5163.6 Ų63.622%0.22435%0.352CS..EExtended strand (participates in β ladder)trans-95.9127.2168.5170.6-110.6000109.1A228 I262 F264 I295 E296 A298F226-A228 HydrophobicContact CD1-CB 4.45Å; F226-A228 HydrophobicContact CE1-CB 3.63Å; F226-A228 HydrophobicContact CZ-CB 3.82Å; F226-I262 HydrophobicContact CE2-CB 3.83Å; F226-I262 HydrophobicContact CE2-CD1 3.87Å; F226-I262 HydrophobicContact CE2-CG1 4.41Å; F226-I262 HydrophobicContact CE2-CG2 3.95Å; F226-I262 HydrophobicContact CZ-CB 4.41Å; F226-I262 HydrophobicContact CZ-CG2 4.03Å; F226-F264 HydrophobicContact CB-CD1 4.4Å; F226-F264 HydrophobicContact CB-CE1 4.09Å; F226-F264 HydrophobicContact CD2-CD1 4.34Å; F226-F264 AromaticContact CD2-CE1 3.67Å; F226-F264 HydrophobicContact CD2-CE1 3.67Å; F226-F264 HydrophobicContact CD2-CE2 4.22Å; F226-F264 AromaticContact CD2-CZ 3.6Å; F226-F264 HydrophobicContact CD2-CZ 3.6Å; F226-F264 HydrophobicContact CE2-CZ 4.15Å; F226-F264 HydrophobicContact CG-CE1 4.32Å; F226-I295 WeakPolarHBondContact O-CA 3.31Å; F226-E296 PolarHBondContact N-O 2.9Å; F226-E296 PolarHBondContact O-N 3.04Å; F226-A298 HydrophobicContact CB-CB 4.4Å
227V94.3Very high85.7Confident0 Ų060.2 Ų60.20%034%0.337CS..EExtended strand (participates in β ladder)trans-115.7120-178.3-169.60000108.5L230 F243 I262 A263 L293 I295V227-L230 HydrophobicContact CG1-CD2 3.97Å; V227-L230 HydrophobicContact CG1-CG 4.48Å; V227-F243 HydrophobicContact CB-CZ 4.35Å; V227-F243 HydrophobicContact CG1-CE2 4.26Å; V227-F243 HydrophobicContact CG1-CZ 4.05Å; V227-F243 HydrophobicContact CG2-CE1 3.96Å; V227-F243 HydrophobicContact CG2-CE2 3.87Å; V227-F243 HydrophobicContact CG2-CZ 3.33Å; V227-I262 WeakPolarHBondContact O-CA 3.5Å; V227-A263 HydrophobicContact CB-CB 4.14Å; V227-A263 PolarHBondContact N-O 2.86Å; V227-A263 PolarHBondContact O-N 3.25Å; V227-L293 HydrophobicContact CG1-CD1 4.47Å; V227-L293 HydrophobicContact CG1-CD2 4.06Å; V227-I295 HydrophobicContact CG1-CG1 4.45Å
228A91.6Very high87.8Confident18 Ų1853.2 Ų53.215%0.14930%0.299CS..EExtended strand (participates in β ladder)trans-120.5178.3178.900000111.4F226 L230 R294F226-A228 HydrophobicContact CD1-CB 4.45Å; F226-A228 HydrophobicContact CE1-CB 3.63Å; F226-A228 HydrophobicContact CZ-CB 3.82Å; A228-L230 VanDerWaalsContact C-N 3.32Å; A228-R294 HydrophobicContact CB-CB 4.36Å; A228-R294 PolarHBondContact N-O 2.83Å; A228-R294 PolarHBondContact O-N 2.8Å
229N91Very high89.7Confident54 Ų5444.7 Ų44.729%0.28926%0.259SS..  trans62.835.3-175.9-15745.2000113.8R290 P292 R294N229-R290 PolarHBondContact ND2-O 3.17Å; N229-R290 VanDerWaalsContact ND2-O 3.1Å; N229-P292 PolarHBondContact ND2-O 3Å; N229-R294 HydrophobicContact CB-CG 4.05Å
230L91.1Very high91Very high1 Ų147.5 Ų47.51%0.00526%0.261CS..  trans-82.4139.1173.8-55.5176.7000110V227 A228 V234 L239 P261 A263 L285 L293V227-L230 HydrophobicContact CG1-CD2 3.97Å; V227-L230 HydrophobicContact CG1-CG 4.48Å; A228-L230 VanDerWaalsContact C-N 3.32Å; L230-V234 HydrophobicContact CD2-CG1 4.39Å; L230-L239 HydrophobicContact CD1-CD1 3.85Å; L230-L239 HydrophobicContact CD2-CD1 4.36Å; L230-L239 HydrophobicContact CD2-CD2 3.87Å; L230-P261 HydrophobicContact CB-CB 4.18Å; L230-P261 HydrophobicContact CB-CG 3.87Å; L230-P261 WeakPolarHBondContact CB-O 3.48Å; L230-P261 HydrophobicContact CD1-CB 4.47Å; L230-A263 HydrophobicContact CD1-CB 3.84Å; L230-L285 HydrophobicContact CD2-CD1 4.26Å; L230-L293 HydrophobicContact CD2-CD2 3.33Å
231S85Confident91.3Very high5 Ų549 Ų494%0.03526%0.259CS..  trans-76.2159.6168.6-169.30000111.7D233 V234 P261 D289S231-D233 PolarHBondContact O-N 3.43Å; S231-V234 WeakPolarHBondContact O-CB 3.48Å; S231-V234 PolarHBondContact O-N 3.04Å; S231-P261 WeakPolarHBondContact O-CG 3.33Å; S231-D289 WeakPolarHBondContact CB-OD1 3.5Å; S231-D289 PolarHBondContact OG-OD1 3.05Å
232A85.8Confident91.5Very high78 Ų7846.7 Ų46.765%0.64524%0.244SC*.THydrogen-bonded Turntrans-61.5-25.9176.300000112.7
233D86.6Confident91.7Very high115 Ų11545.9 Ų45.962%0.61524%0.239SC*.THydrogen-bonded Turntrans-82.7-13.6-179.3-62.9-36.9000113.5S231 K235S231-D233 PolarHBondContact O-N 3.43Å; D233-K235 PolarHBondContact O-N 3.02Å
234V87.6Confident91.7Very high4 Ų447 Ų472%0.02425%0.253CS..  trans-69123.3179176.30000109.9L230 S231 L239 L285L230-V234 HydrophobicContact CD2-CG1 4.39Å; S231-V234 WeakPolarHBondContact O-CB 3.48Å; S231-V234 PolarHBondContact O-N 3.04Å; V234-L239 HydrophobicContact CG1-CD1 3.9Å; V234-L239 HydrophobicContact CG1-CD2 4.15Å; V234-L239 HydrophobicContact CG1-CG 3.75Å; V234-L285 HydrophobicContact CB-CD1 4.42Å; V234-L285 HydrophobicContact CG1-CD1 3.59Å; V234-L285 HydrophobicContact CG2-CD1 3.88Å
235K89.4Confident91.6Very high142 Ų14251.2 Ų51.262%0.61728%0.282SS*.  trans-93.8153.5178.6-64.6179.9-176.1173.40111.5D233 T237 E238 L239D233-K235 PolarHBondContact O-N 3.02Å; K235-T237 PolarHBondContact O-N 3.39Å; K235-E238 PolarHBondContact O-N 2.87Å; K235-L239 PolarHBondContact O-N 3.09Å
236E90.6Very high91.6Very high74 Ų7453 Ų5335%0.34629%0.29SS..Hα-helixtrans-56.3-34.9174.1-167-170.2137.200112L239 R240 L252 M254E236-L239 PolarHBondContact O-N 2.7Å; E236-R240 VanDerWaalsContact O-CB 3.3Å; E236-R240 WeakPolarHBondContact O-CB 3.11Å; E236-R240 PolarHBondContact O-N 3.47Å; E236-R240 IonicContact OE1-CZ 3.84Å; E236-R240 IonicContact OE1-NE 3.85Å; E236-R240 IonicContact OE1-NH2 3.18Å; E236-R240 PolarHBondContact OE1-NH2 3.19Å; E236-L252 HydrophobicContact CG-CD2 3.45Å; E236-L252 VanDerWaalsContact CG-CD2 3.45Å; E236-M254 HydrophobicContact CB-CE 4.38Å
237T92Very high91.6Very high86 Ų8654.3 Ų54.353%0.52830%0.304SS..Hα-helixtrans-62.9-45.9-179.151.80000112.4K235 L239 R240 E241K235-T237 PolarHBondContact O-N 3.39Å; T237-L239 PolarHBondContact O-N 3.4Å; T237-R240 WeakPolarHBondContact O-CB 3.3Å; T237-R240 PolarHBondContact O-N 2.91Å; T237-R240 VanDerWaalsContact O-N 3.17Å; T237-E241 WeakPolarHBondContact O-CG 3.49Å; T237-E241 PolarHBondContact O-N 3.43Å
238E92.1Very high91.5Very high31 Ų3155.5 Ų55.515%0.14532%0.316CS..Hα-helixtrans-63-45.1179.1-174.7-178-176.200110.8K235 R240 E241 V242 L285 L286 S287K235-E238 PolarHBondContact O-N 2.87Å; E238-R240 VanDerWaalsContact C-N 3.31Å; E238-R240 PolarHBondContact O-N 2.78Å; E238-E241 PolarHBondContact O-N 3.13Å; E238-V242 WeakPolarHBondContact O-CG2 3.25Å; E238-V242 PolarHBondContact O-N 3.45Å; E238-V242 VanDerWaalsContact O-N 3.1Å; E238-L285 HydrophobicContact CG-CD2 4.13Å; E238-L285 WeakPolarHBondContact OE1-CB 3.33Å; E238-L286 PolarHBondContact OE1-N 2.95Å; E238-S287 VanDerWaalsContact CD-OG 3.27Å; E238-S287 PolarHBondContact OE1-N 3.49Å; E238-S287 PolarHBondContact OE1-OG 3.21Å; E238-S287 WeakPolarHBondContact OE2-CB 3.32Å; E238-S287 PolarHBondContact OE2-OG 3.3Å
239L93.4Very high91.6Very high0 Ų056.8 Ų56.80%032%0.318CS..Hα-helixtrans-61.7-41.6174.6-68.7169.5000111.5L230 V234 K235 E236 T237 E241 V242 F243 L252 M254 A263 L285L230-L239 HydrophobicContact CD1-CD1 3.85Å; L230-L239 HydrophobicContact CD2-CD1 4.36Å; L230-L239 HydrophobicContact CD2-CD2 3.87Å; V234-L239 HydrophobicContact CG1-CD1 3.9Å; V234-L239 HydrophobicContact CG1-CD2 4.15Å; V234-L239 HydrophobicContact CG1-CG 3.75Å; K235-L239 PolarHBondContact O-N 3.09Å; E236-L239 PolarHBondContact O-N 2.7Å; T237-L239 PolarHBondContact O-N 3.4Å; L239-E241 VanDerWaalsContact C-N 3.3Å; L239-E241 PolarHBondContact O-N 2.74Å; L239-V242 PolarHBondContact O-N 2.64Å; L239-F243 HydrophobicContact CB-CD2 4.42Å; L239-F243 HydrophobicContact CD2-CD2 4.44Å; L239-F243 HydrophobicContact CD2-CE2 4.02Å; L239-F243 WeakPolarHBondContact O-CB 2.93Å; L239-F243 VanDerWaalsContact O-CD2 3.26Å; L239-F243 WeakPolarHBondContact O-CD2 3.39Å; L239-F243 PolarHBondContact O-N 3.23Å; L239-L252 HydrophobicContact CB-CD1 3.61Å; L239-L252 HydrophobicContact CB-CD2 4.23Å; L239-M254 HydrophobicContact CD1-SD 4.28Å; L239-A263 HydrophobicContact CD1-CB 3.82Å; L239-L285 HydrophobicContact CD2-CD1 3.68Å; L239-L285 HydrophobicContact CG-CD1 4.47Å
240R93.5Very high91.7Very high116 Ų11658.1 Ų58.144%0.43832%0.323SS..Hα-helixtrans-64-36.5179.4-175-179.4-72.8-121.13.7111.9E236 T237 E238 G244 F249E236-R240 VanDerWaalsContact O-CB 3.3Å; E236-R240 WeakPolarHBondContact O-CB 3.11Å; E236-R240 PolarHBondContact O-N 3.47Å; E236-R240 IonicContact OE1-CZ 3.84Å; E236-R240 IonicContact OE1-NE 3.85Å; E236-R240 IonicContact OE1-NH2 3.18Å; E236-R240 PolarHBondContact OE1-NH2 3.19Å; T237-R240 WeakPolarHBondContact O-CB 3.3Å; T237-R240 PolarHBondContact O-N 2.91Å; T237-R240 VanDerWaalsContact O-N 3.17Å; E238-R240 VanDerWaalsContact C-N 3.31Å; E238-R240 PolarHBondContact O-N 2.78Å; R240-G244 WeakPolarHBondContact O-CA 3.29Å; R240-G244 PolarHBondContact O-N 2.71Å; R240-F249 HydrophobicContact CG-CE1 3.98Å; R240-F249 HydrophobicContact CG-CZ 4.07Å
241E93.2Very high91.7Very high147 Ų14760.6 Ų60.669%0.68733%0.332SS*.Hα-helixtrans-65.7-46.1174.7-72.8170.7-165.200111.5T237 E238 L239 G244 S245T237-E241 WeakPolarHBondContact O-CG 3.49Å; T237-E241 PolarHBondContact O-N 3.43Å; E238-E241 PolarHBondContact O-N 3.13Å; L239-E241 VanDerWaalsContact C-N 3.3Å; L239-E241 PolarHBondContact O-N 2.74Å; E241-G244 PolarHBondContact O-N 3.43Å; E241-S245 PolarHBondContact O-N 3.43Å
242V93.4Very high92.1Very high27 Ų2760.8 Ų60.816%0.16433%0.333CS..Hα-helixtrans-68.5-47.1-179.2175.20000112.3E238 L239 G244 S245 L280 F283 L285E238-V242 WeakPolarHBondContact O-CG2 3.25Å; E238-V242 PolarHBondContact O-N 3.45Å; E238-V242 VanDerWaalsContact O-N 3.1Å; L239-V242 PolarHBondContact O-N 2.64Å; V242-G244 VanDerWaalsContact C-N 3.34Å; V242-S245 PolarHBondContact O-OG 2.91Å; V242-L280 HydrophobicContact CG1-CD1 3.95Å; V242-L280 HydrophobicContact CG1-CD2 3.47Å; V242-L280 VanDerWaalsContact CG1-CD2 3.47Å; V242-L280 HydrophobicContact CG1-CG 4.36Å; V242-F283 HydrophobicContact CG1-CD1 4.15Å; V242-F283 HydrophobicContact CG1-CE1 4.03Å; V242-F283 HydrophobicContact CG2-CE1 4.12Å; V242-L285 HydrophobicContact CG2-CD2 3.89Å
243F95Very high92.3Very high0 Ų061.6 Ų61.60%032%0.322CS..Hα-helixtrans-74.6-28.1177.6-76.1-85.3000111.9L225 V227 L239 S245 F246 F249 L252 A265 Y267 L280 L293 I295L225-F243 HydrophobicContact CD1-CE1 4.34Å; V227-F243 HydrophobicContact CB-CZ 4.35Å; V227-F243 HydrophobicContact CG1-CE2 4.26Å; V227-F243 HydrophobicContact CG1-CZ 4.05Å; V227-F243 HydrophobicContact CG2-CE1 3.96Å; V227-F243 HydrophobicContact CG2-CE2 3.87Å; V227-F243 HydrophobicContact CG2-CZ 3.33Å; L239-F243 HydrophobicContact CB-CD2 4.42Å; L239-F243 HydrophobicContact CD2-CD2 4.44Å; L239-F243 HydrophobicContact CD2-CE2 4.02Å; L239-F243 WeakPolarHBondContact O-CB 2.93Å; L239-F243 VanDerWaalsContact O-CD2 3.26Å; L239-F243 WeakPolarHBondContact O-CD2 3.39Å; L239-F243 PolarHBondContact O-N 3.23Å; F243-S245 VanDerWaalsContact C-N 3.31Å; F243-S245 PolarHBondContact O-N 2.75Å; F243-F246 PolarHBondContact O-N 3.31Å; F243-F249 HydrophobicContact CB-CD2 3.87Å; F243-F249 HydrophobicContact CB-CE2 3.73Å; F243-L252 HydrophobicContact CB-CD1 4.43Å; F243-L252 HydrophobicContact CD2-CD1 3.97Å; F243-L252 HydrophobicContact CG-CD1 4.38Å; F243-A265 HydrophobicContact CB-CB 4.38Å; F243-A265 HydrophobicContact CD1-CB 3.72Å; F243-A265 HydrophobicContact CE1-CB 4.18Å; F243-A265 HydrophobicContact CG-CB 4Å; F243-Y267 HydrophobicContact CD1-CE2 4.3Å; F243-Y267 WeakPolarHBondContact CD1-OH 3.44Å; F243-Y267 PolarHBondContact O-OH 2.85Å; F243-L280 HydrophobicContact CD1-CD1 3.65Å; F243-L280 HydrophobicContact CD2-CD1 4.49Å; F243-L280 HydrophobicContact CE1-CD1 3.59Å; F243-L280 HydrophobicContact CE2-CD1 4.43Å; F243-L280 HydrophobicContact CG-CD1 4.11Å; F243-L280 HydrophobicContact CZ-CD1 3.98Å; F243-L293 HydrophobicContact CE2-CD1 4.45Å; F243-I295 HydrophobicContact CE1-CD1 4.03Å; F243-I295 HydrophobicContact CZ-CD1 3.83Å; F243-I295 HydrophobicContact CZ-CG1 4.49Å
244G94Very high92.4Very high39 Ų3959.1 Ų59.140%0.40231%0.307SS..Hα-helixtrans-73.6-15.6178.300000114.7R240 E241 V242 F246R240-G244 WeakPolarHBondContact O-CA 3.29Å; R240-G244 PolarHBondContact O-N 2.71Å; E241-G244 PolarHBondContact O-N 3.43Å; V242-G244 VanDerWaalsContact C-N 3.34Å; G244-F246 PolarHBondContact O-N 3.28Å
245S94.3Very high92.4Very high88 Ų8862.4 Ų62.462%0.61532%0.324SS*.THydrogen-bonded Turntrans-71.5-12.3173.169.80000113.3E241 V242 F243E241-S245 PolarHBondContact O-N 3.43Å; V242-S245 PolarHBondContact O-OG 2.91Å; F243-S245 VanDerWaalsContact C-N 3.31Å; F243-S245 PolarHBondContact O-N 2.75Å
246F95.1Very high92.2Very high36 Ų3660.8 Ų60.816%0.15833%0.33CS..SBendtrans-96.6141.1178.5-68-91.4000111.2F243 G244 Y267 A276 A279 L280F243-F246 PolarHBondContact O-N 3.31Å; G244-F246 PolarHBondContact O-N 3.28Å; F246-Y267 HydrophobicContact CB-CE1 3.81Å; F246-A276 HydrophobicContact CB-CB 4.04Å; F246-A276 HydrophobicContact CD1-CB 4.13Å; F246-A276 HydrophobicContact CD2-CB 4.28Å; F246-A276 HydrophobicContact CG-CB 3.87Å; F246-A279 HydrophobicContact CE1-CB 3.42Å; F246-A279 VanDerWaalsContact CE1-CB 3.42Å; F246-A279 HydrophobicContact CZ-CB 3.48Å; F246-A279 VanDerWaalsContact CZ-CB 3.48Å; F246-L280 HydrophobicContact CD2-CD1 4.04Å; F246-L280 HydrophobicContact CD2-CG 4.45Å; F246-L280 HydrophobicContact CE2-CD1 3.63Å; F246-L280 HydrophobicContact CE2-CD2 3.79Å; F246-L280 HydrophobicContact CE2-CG 3.6Å; F246-L280 HydrophobicContact CZ-CD1 4.41Å; F246-L280 HydrophobicContact CZ-CD2 4.17Å; F246-L280 HydrophobicContact CZ-CG 3.94Å
247P94.3Very high91.6Very high79 Ų7963.8 Ų63.851%0.51334%0.341SS..THydrogen-bonded Turntrans-61147.7179.626.6-34.7000111.3F249 Y267 E272P247-F249 VanDerWaalsContact C-N 3.32Å; P247-F249 PolarHBondContact O-N 2.92Å; P247-Y267 WeakPolarHBondContact O-CD1 3.34Å; P247-E272 WeakPolarHBondContact O-CB 3.43Å
248G92Very high90.7Very high25 Ų2567.8 Ų67.826%0.25835%0.354SS..THydrogen-bonded Turntrans81.40.1176.600000115.2Q250 Y267 A268 E272G248-Q250 PolarHBondContact O-N 2.83Å; G248-Y267 CarbonylContact O-C 3.36Å; G248-Y267 WeakPolarHBondContact O-CA 3.22Å; G248-A268 PolarHBondContact O-N 3.22Å; G248-E272 WeakPolarHBondContact CA-OE1 3.03Å
249F95Very high90.1Very high46 Ų4669.7 Ų69.720%0.20238%0.382CS..EExtended strand (participates in β ladder)trans-58.4121.4176176.9-98.7000111.2R240 F243 P247 L252 A265 Y267R240-F249 HydrophobicContact CG-CE1 3.98Å; R240-F249 HydrophobicContact CG-CZ 4.07Å; F243-F249 HydrophobicContact CB-CD2 3.87Å; F243-F249 HydrophobicContact CB-CE2 3.73Å; P247-F249 VanDerWaalsContact C-N 3.32Å; P247-F249 PolarHBondContact O-N 2.92Å; F249-L252 HydrophobicContact CE2-CB 3.9Å; F249-L252 HydrophobicContact CE2-CD1 4.48Å; F249-L252 HydrophobicContact CZ-CB 3.62Å; F249-A265 HydrophobicContact CE2-CB 4.32Å; F249-Y267 HydrophobicContact CB-CD1 4.27Å; F249-Y267 HydrophobicContact CB-CE1 3.82Å; F249-Y267 HydrophobicContact CD2-CE1 4.44Å
250Q92.4Very high89.6Confident82 Ų8275.4 Ų75.438%0.38340%0.404SS..EExtended strand (participates in β ladder)trans-102.3-47.9-178.4-65.2-168.767.300112G248 E266 Y267 A268G248-Q250 PolarHBondContact O-N 2.83Å; Q250-E266 HydrophobicContact CB-CG 4.44Å; Q250-E266 PolarHBondContact N-O 3.12Å; Q250-Y267 VanDerWaalsContact NE2-C 3.28Å; Q250-Y267 PolarHBondContact NE2-O 3.09Å; Q250-A268 HydrophobicContact CG-CB 4.44Å; Q250-A268 VanDerWaalsContact NE2-CA 3.29Å
251R90.9Very high89.3Confident53 Ų5370.5 Ų70.520%0.239%0.388CS..EExtended strand (participates in β ladder)trans-161.8155.3-17356.6-177.779.7135.3-4.9111.8E266 M302R251-E266 WeakPolarHBondContact CD-OE2 3.49Å; R251-E266 HydrophobicContact CG-CB 3.64Å; R251-E266 HydrophobicContact CG-CG 4.45Å; R251-E266 WeakPolarHBondContact CG-OE2 3.12Å; R251-E266 IonicContact CZ-OE2 2.71Å; R251-E266 PolarHBondContact N-O 3.39Å; R251-E266 IonicContact NE-OE2 3.55Å; R251-E266 PolarHBondContact NE-OE2 3.47Å; R251-E266 IonicContact NH1-OE1 2.8Å; R251-E266 IonicContact NH1-OE2 3.57Å; R251-E266 PolarHBondContact NH1-OE2 2.99Å; R251-E266 PolarHBondContact O-N 3.32Å; R251-M302 HydrophobicContact CG-CE 3.96Å; R251-M302 HydrophobicContact CG-SD 4.04Å
252L92.6Very high89.3Confident9 Ų964.6 Ų64.65%0.04736%0.36CS..EExtended strand (participates in β ladder)trans-128.5144.7169.7-173.9142.9000109.7E236 L239 F243 F249 A263 F264 A265E236-L252 HydrophobicContact CG-CD2 3.45Å; E236-L252 VanDerWaalsContact CG-CD2 3.45Å; L239-L252 HydrophobicContact CB-CD1 3.61Å; L239-L252 HydrophobicContact CB-CD2 4.23Å; F243-L252 HydrophobicContact CB-CD1 4.43Å; F243-L252 HydrophobicContact CD2-CD1 3.97Å; F243-L252 HydrophobicContact CG-CD1 4.38Å; F249-L252 HydrophobicContact CE2-CB 3.9Å; F249-L252 HydrophobicContact CE2-CD1 4.48Å; F249-L252 HydrophobicContact CZ-CB 3.62Å; L252-A263 HydrophobicContact CD2-CB 4.4Å; L252-F264 CarbonylContact C-O 3.6Å; L252-F264 VanDerWaalsContact CA-O 3.24Å; L252-F264 WeakPolarHBondContact CA-O 3.13Å; L252-A265 HydrophobicContact CD1-CB 4.35Å
253K90.1Very high89.3Confident95 Ų9563.3 Ų63.341%0.41335%0.353SS..EExtended strand (participates in β ladder)trans-137.1125.3173.1175177.8-175.4176.80110.1L255 A263 F264 M302K253-L255 HydrophobicContact CG-CG 4.35Å; K253-A263 CarbonylContact O-C 3.35Å; K253-A263 WeakPolarHBondContact O-CA 3.11Å; K253-F264 PolarHBondContact N-O 2.79Å; K253-F264 PolarHBondContact O-N 3.44Å; K253-M302 HydrophobicContact CB-CE 3.15Å; K253-M302 HydrophobicContact CB-SD 4.29Å; K253-M302 HydrophobicContact CD-CE 3.96Å; K253-M302 HydrophobicContact CG-CE 4.2Å
254M90.2Very high89.3Confident62 Ų6265.5 Ų65.531%0.30536%0.362SS..EExtended strand (participates in β ladder)trans-93.9141.3172.5-160.4165.466.800110.3E236 L239 P261 I262E236-M254 HydrophobicContact CB-CE 4.38Å; L239-M254 HydrophobicContact CD1-SD 4.28Å; M254-P261 HydrophobicContact CG-CB 4.45Å; M254-P261 HydrophobicContact SD-CB 4.4Å; M254-I262 CarbonylContact C-O 3.58Å; M254-I262 WeakPolarHBondContact CA-O 3.46Å
255L87.3Confident89.3Confident73 Ų7363.7 Ų63.738%0.38234%0.343SS..EExtended strand (participates in β ladder)trans-137.2150.5178.3-74.8165000108.6K253 P261 I262 F264K253-L255 HydrophobicContact CG-CG 4.35Å; L255-P261 CarbonylContact O-C 3.53Å; L255-P261 WeakPolarHBondContact O-CA 3.48Å; L255-I262 HydrophobicContact CB-CD1 4.27Å; L255-I262 HydrophobicContact CB-CG1 3.95Å; L255-I262 PolarHBondContact N-O 3.34Å; L255-I262 VanDerWaalsContact O-CG1 3.25Å; L255-I262 WeakPolarHBondContact O-CG1 3.24Å; L255-I262 PolarHBondContact O-N 3.35Å; L255-I262 VanDerWaalsContact O-O 3.08Å; L255-F264 HydrophobicContact CD1-CD2 3.99Å; L255-F264 HydrophobicContact CD1-CE2 3.78Å
256C84.7Confident89.3Confident109 Ų10959.5 Ų59.574%0.73631%0.314SS*.EExtended strand (participates in β ladder)trans-104.8116.5172.1-61.60000108.9Y260C256-Y260 WeakPolarHBondContact CA-O 3.33Å
257K77.2Confident89.4Confident136 Ų13657.8 Ų57.859%0.59131%0.307SS*.EExtended strand (participates in β ladder)trans-121.6125176.7-170175.6179.4179.80108.8G259 Y260 I262K257-G259 PolarHBondContact O-N 3.12Å; K257-Y260 PolarHBondContact N-O 2.77Å; K257-Y260 PolarHBondContact O-N 2.77Å; K257-I262 HydrophobicContact CB-CD1 3.88Å; K257-I262 HydrophobicContact CB-CG1 4.38Å; K257-I262 HydrophobicContact CD-CD1 4.36Å
258Q74.8Confident89.4Confident170 Ų17056.6 Ų56.679%0.79430%0.303SS*.THydrogen-bonded Turntrans55.335.1-178.6-61.5170.26.100113.5Y260Q258-Y260 VanDerWaalsContact C-N 3.31Å; Q258-Y260 PolarHBondContact O-N 2.78Å
259G78.2Confident89.4Confident71 Ų7158.4 Ų58.473%0.73231%0.309SS*.THydrogen-bonded Turntrans82.2-0.1178.100000115.4K257K257-G259 PolarHBondContact O-N 3.12Å
260Y82.5Confident89.4Confident120 Ų12059.6 Ų59.647%0.47132%0.317SS..EExtended strand (participates in β ladder)trans-115.7140.5177.6-50.1-55.8000111.3C256 K257 Q258C256-Y260 WeakPolarHBondContact CA-O 3.33Å; K257-Y260 PolarHBondContact N-O 2.77Å; K257-Y260 PolarHBondContact O-N 2.77Å; Q258-Y260 VanDerWaalsContact C-N 3.31Å; Q258-Y260 PolarHBondContact O-N 2.78Å
261P88.9Confident89.6Confident13 Ų1362 Ų628%0.08433%0.333CS..EExtended strand (participates in β ladder)trans-70140.6173.824.2-24.9000110.5L230 S231 M254 L255L230-P261 HydrophobicContact CB-CB 4.18Å; L230-P261 HydrophobicContact CB-CG 3.87Å; L230-P261 WeakPolarHBondContact CB-O 3.48Å; L230-P261 HydrophobicContact CD1-CB 4.47Å; S231-P261 WeakPolarHBondContact O-CG 3.33Å; M254-P261 HydrophobicContact CG-CB 4.45Å; M254-P261 HydrophobicContact SD-CB 4.4Å; L255-P261 CarbonylContact O-C 3.53Å; L255-P261 WeakPolarHBondContact O-CA 3.48Å
262I91.9Very high89.9Confident23 Ų2361.9 Ų61.912%0.11833%0.334CS..EExtended strand (participates in β ladder)trans-132.8153.1170.155166.8000107.7F226 V227 M254 L255 K257 F264F226-I262 HydrophobicContact CE2-CB 3.83Å; F226-I262 HydrophobicContact CE2-CD1 3.87Å; F226-I262 HydrophobicContact CE2-CG1 4.41Å; F226-I262 HydrophobicContact CE2-CG2 3.95Å; F226-I262 HydrophobicContact CZ-CB 4.41Å; F226-I262 HydrophobicContact CZ-CG2 4.03Å; V227-I262 WeakPolarHBondContact O-CA 3.5Å; M254-I262 CarbonylContact C-O 3.58Å; M254-I262 WeakPolarHBondContact CA-O 3.46Å; L255-I262 HydrophobicContact CB-CD1 4.27Å; L255-I262 HydrophobicContact CB-CG1 3.95Å; L255-I262 PolarHBondContact N-O 3.34Å; L255-I262 VanDerWaalsContact O-CG1 3.25Å; L255-I262 WeakPolarHBondContact O-CG1 3.24Å; L255-I262 PolarHBondContact O-N 3.35Å; L255-I262 VanDerWaalsContact O-O 3.08Å; K257-I262 HydrophobicContact CB-CD1 3.88Å; K257-I262 HydrophobicContact CB-CG1 4.38Å; K257-I262 HydrophobicContact CD-CD1 4.36Å; I262-F264 HydrophobicContact CD1-CE2 4.01Å
263A93.6Very high90Very high0 Ų061.4 Ų61.40%033%0.332CS..EExtended strand (participates in β ladder)trans-128.9154.6176.900000112.2V227 L230 L239 L252 K253V227-A263 HydrophobicContact CB-CB 4.14Å; V227-A263 PolarHBondContact N-O 2.86Å; V227-A263 PolarHBondContact O-N 3.25Å; L230-A263 HydrophobicContact CD1-CB 3.84Å; L239-A263 HydrophobicContact CD1-CB 3.82Å; L252-A263 HydrophobicContact CD2-CB 4.4Å; K253-A263 CarbonylContact O-C 3.35Å; K253-A263 WeakPolarHBondContact O-CA 3.11Å
264F94.7Very high90.3Very high47 Ų4758.5 Ų58.521%0.20632%0.322CS..EExtended strand (participates in β ladder)trans-122.1124.5171.4-68.7-89000108.5T224 L225 F226 L252 K253 L255 I262 A298 M302T224-F264 HydrophobicContact CG2-CB 4.25Å; T224-F264 HydrophobicContact CG2-CD1 4.17Å; L225-F264 CarbonylContact O-C 3.58Å; L225-F264 VanDerWaalsContact O-CA 3.25Å; L225-F264 WeakPolarHBondContact O-CA 3.38Å; F226-F264 HydrophobicContact CB-CD1 4.4Å; F226-F264 HydrophobicContact CB-CE1 4.09Å; F226-F264 HydrophobicContact CD2-CD1 4.34Å; F226-F264 AromaticContact CD2-CE1 3.67Å; F226-F264 HydrophobicContact CD2-CE1 3.67Å; F226-F264 HydrophobicContact CD2-CE2 4.22Å; F226-F264 AromaticContact CD2-CZ 3.6Å; F226-F264 HydrophobicContact CD2-CZ 3.6Å; F226-F264 HydrophobicContact CE2-CZ 4.15Å; F226-F264 HydrophobicContact CG-CE1 4.32Å; L252-F264 CarbonylContact C-O 3.6Å; L252-F264 VanDerWaalsContact CA-O 3.24Å; L252-F264 WeakPolarHBondContact CA-O 3.13Å; K253-F264 PolarHBondContact N-O 2.79Å; K253-F264 PolarHBondContact O-N 3.44Å; L255-F264 HydrophobicContact CD1-CD2 3.99Å; L255-F264 HydrophobicContact CD1-CE2 3.78Å; I262-F264 HydrophobicContact CD1-CE2 4.01Å; F264-A298 HydrophobicContact CD1-CB 4.05Å; F264-A298 HydrophobicContact CE1-CB 4.1Å; F264-M302 HydrophobicContact CB-SD 3.93Å
265A95.2Very high90.6Very high0 Ų060.9 Ų60.90%033%0.333CS..EExtended strand (participates in β ladder)trans-113.9122176.700000109.3T224 L225 F243 F249 L252 Y267T224-A265 CarbonylContact C-O 3.59Å; T224-A265 WeakPolarHBondContact CA-O 3.41Å; L225-A265 PolarHBondContact N-O 3.47Å; L225-A265 PolarHBondContact O-N 3.5Å; F243-A265 HydrophobicContact CB-CB 4.38Å; F243-A265 HydrophobicContact CD1-CB 3.72Å; F243-A265 HydrophobicContact CE1-CB 4.18Å; F243-A265 HydrophobicContact CG-CB 4Å; F249-A265 HydrophobicContact CE2-CB 4.32Å; L252-A265 HydrophobicContact CD1-CB 4.35Å; A265-Y267 HydrophobicContact CB-CE2 4.25Å
266E94.6Very high91Very high0 Ų057.4 Ų57.40%031%0.314CS..EExtended strand (participates in β ladder)trans-101.3134.2177.6-176-180-172.800110.5Q250 R251 R301 M302Q250-E266 HydrophobicContact CB-CG 4.44Å; Q250-E266 PolarHBondContact N-O 3.12Å; R251-E266 WeakPolarHBondContact CD-OE2 3.49Å; R251-E266 HydrophobicContact CG-CB 3.64Å; R251-E266 HydrophobicContact CG-CG 4.45Å; R251-E266 WeakPolarHBondContact CG-OE2 3.12Å; R251-E266 IonicContact CZ-OE2 2.71Å; R251-E266 PolarHBondContact N-O 3.39Å; R251-E266 IonicContact NE-OE2 3.55Å; R251-E266 PolarHBondContact NE-OE2 3.47Å; R251-E266 IonicContact NH1-OE1 2.8Å; R251-E266 IonicContact NH1-OE2 3.57Å; R251-E266 PolarHBondContact NH1-OE2 2.99Å; R251-E266 PolarHBondContact O-N 3.32Å; E266-R301 IonicContact OE1-CZ 3.81Å; E266-R301 VanDerWaalsContact OE1-CZ 3.27Å; E266-R301 IonicContact OE1-NE 2.84Å; E266-R301 PolarHBondContact OE1-NE 2.88Å; E266-R301 IonicContact OE1-NH2 2.91Å; E266-R301 PolarHBondContact OE1-NH2 3.46Å; E266-M302 HydrophobicContact CB-CB 4.2Å; E266-M302 HydrophobicContact CB-SD 4.23Å
267Y96Very high91.5Very high0 Ų053.4 Ų53.40%029%0.285CS..EExtended strand (participates in β ladder)trans-112161173-71.9-93.1000111.3S223 L225 F243 F246 P247 G248 F249 Q250 A265 E272 A273 A276S223-Y267 PolarHBondContact O-N 2.92Å; L225-Y267 HydrophobicContact CD1-CD2 4.23Å; L225-Y267 HydrophobicContact CD1-CE2 3.82Å; L225-Y267 HydrophobicContact CG-CD2 4.47Å; L225-Y267 HydrophobicContact CG-CE2 4.47Å; F243-Y267 HydrophobicContact CD1-CE2 4.3Å; F243-Y267 WeakPolarHBondContact CD1-OH 3.44Å; F243-Y267 PolarHBondContact O-OH 2.85Å; F246-Y267 HydrophobicContact CB-CE1 3.81Å; P247-Y267 WeakPolarHBondContact O-CD1 3.34Å; G248-Y267 CarbonylContact O-C 3.36Å; G248-Y267 WeakPolarHBondContact O-CA 3.22Å; F249-Y267 HydrophobicContact CB-CD1 4.27Å; F249-Y267 HydrophobicContact CB-CE1 3.82Å; F249-Y267 HydrophobicContact CD2-CE1 4.44Å; Q250-Y267 VanDerWaalsContact NE2-C 3.28Å; Q250-Y267 PolarHBondContact NE2-O 3.09Å; A265-Y267 HydrophobicContact CB-CE2 4.25Å; Y267-E272 HydrophobicContact CD1-CB 4.09Å; Y267-E272 HydrophobicContact CG-CB 4.44Å; Y267-A273 HydrophobicContact CD2-CB 3.97Å; Y267-A273 HydrophobicContact CG-CB 4.19Å; Y267-A276 HydrophobicContact CE1-CB 3.93Å; Y267-A276 HydrophobicContact CE2-CB 3.75Å; Y267-A276 VanDerWaalsContact OH-CB 3.3Å; Y267-A276 WeakPolarHBondContact OH-CB 3.41Å
268A93.8Very high92.3Very high54 Ų5452.2 Ų52.245%0.44629%0.285SS..SBendtrans-63.5-43.1179.600000111.4G248 Q250 E272G248-A268 PolarHBondContact O-N 3.22Å; Q250-A268 HydrophobicContact CG-CB 4.44Å; Q250-A268 VanDerWaalsContact NE2-CA 3.29Å; A268-E272 WeakPolarHBondContact CB-OE2 3.44Å
269T93.8Very high93.3Very high63 Ų6346.7 Ų46.739%0.38727%0.269SS..SBendtrans-124.1160.5178.567.90000112.3N271 E272 A273T269-N271 VanDerWaalsContact C-N 3.27Å; T269-N271 PolarHBondContact O-N 3.29Å; T269-E272 WeakPolarHBondContact CB-OE2 3.5Å; T269-E272 PolarHBondContact N-OE2 3.26Å; T269-E272 VanDerWaalsContact OG1-CD 3.24Å; T269-E272 VanDerWaalsContact OG1-CG 3.28Å; T269-E272 WeakPolarHBondContact OG1-CG 3.37Å; T269-E272 PolarHBondContact OG1-N 3.31Å; T269-E272 PolarHBondContact OG1-OE2 2.88Å; T269-A273 PolarHBondContact O-N 3.48Å
270I95Very high94Very high72 Ų7243.7 Ų43.737%0.36924%0.236SC..Hα-helixtrans-62.3-39.6172.8-59.6173.9000109.9P221 E272 A273 T274P221-I270 HydrophobicContact CB-CG2 3.55Å; I270-E272 PolarHBondContact O-N 2.75Å; I270-A273 CarbonylContact O-C 3.51Å; I270-A273 WeakPolarHBondContact O-CB 3.19Å; I270-A273 PolarHBondContact O-N 2.92Å; I270-A273 VanDerWaalsContact O-N 3.16Å; I270-T274 PolarHBondContact O-N 2.71Å; I270-T274 PolarHBondContact O-OG1 3.28Å
271N96.3Very high94.4Very high131 Ų13142.8 Ų42.870%0.70124%0.236SC*.Hα-helixtrans-62.6-41.7-177.6-66.4-16.1000112.5T269 T274 H275T269-N271 VanDerWaalsContact C-N 3.27Å; T269-N271 PolarHBondContact O-N 3.29Å; N271-T274 PolarHBondContact O-N 3.12Å; N271-H275 WeakPolarHBondContact O-CB 3.41Å; N271-H275 PolarHBondContact O-N 3.49Å
272E96.3Very high94.3Very high51 Ų5144.2 Ų44.224%0.23825%0.253CS..Hα-helixtrans-65.8-41.5174.1-70.3161.3141.800111.5P247 G248 Y267 A268 T269 I270 T274 H275 A276P247-E272 WeakPolarHBondContact O-CB 3.43Å; G248-E272 WeakPolarHBondContact CA-OE1 3.03Å; Y267-E272 HydrophobicContact CD1-CB 4.09Å; Y267-E272 HydrophobicContact CG-CB 4.44Å; A268-E272 WeakPolarHBondContact CB-OE2 3.44Å; T269-E272 WeakPolarHBondContact CB-OE2 3.5Å; T269-E272 PolarHBondContact N-OE2 3.26Å; T269-E272 VanDerWaalsContact OG1-CD 3.24Å; T269-E272 VanDerWaalsContact OG1-CG 3.28Å; T269-E272 WeakPolarHBondContact OG1-CG 3.37Å; T269-E272 PolarHBondContact OG1-N 3.31Å; T269-E272 PolarHBondContact OG1-OE2 2.88Å; I270-E272 PolarHBondContact O-N 2.75Å; E272-T274 VanDerWaalsContact C-N 3.35Å; E272-T274 PolarHBondContact O-N 2.83Å; E272-H275 PolarHBondContact O-N 3.42Å; E272-A276 PolarHBondContact O-N 3.1Å
273A95.9Very high94.2Very high0 Ų047.1 Ų47.10%027%0.265CS..Hα-helixtrans-59.7-44.9173.300000111.6L225 Y267 T269 I270 H275 A276 M277L225-A273 WeakPolarHBondContact CD1-O 3.46Å; L225-A273 HydrophobicContact CD2-CB 3.97Å; L225-A273 HydrophobicContact CG-CB 4.12Å; Y267-A273 HydrophobicContact CD2-CB 3.97Å; Y267-A273 HydrophobicContact CG-CB 4.19Å; T269-A273 PolarHBondContact O-N 3.48Å; I270-A273 CarbonylContact O-C 3.51Å; I270-A273 WeakPolarHBondContact O-CB 3.19Å; I270-A273 PolarHBondContact O-N 2.92Å; I270-A273 VanDerWaalsContact O-N 3.16Å; A273-H275 VanDerWaalsContact C-N 3.32Å; A273-H275 PolarHBondContact O-N 2.89Å; A273-A276 PolarHBondContact O-N 3.29Å; A273-M277 VanDerWaalsContact O-CB 3.27Å; A273-M277 WeakPolarHBondContact O-CB 3.48Å; A273-M277 PolarHBondContact O-N 2.97Å
274T95.8Very high93.9Very high34 Ų3450.8 Ų50.821%0.20929%0.287CS..Hα-helixtrans-60.6-42.7176.3-50.70000111.5I270 N271 E272 M277 N278 Y297I270-T274 PolarHBondContact O-N 2.71Å; I270-T274 PolarHBondContact O-OG1 3.28Å; N271-T274 PolarHBondContact O-N 3.12Å; E272-T274 VanDerWaalsContact C-N 3.35Å; E272-T274 PolarHBondContact O-N 2.83Å; T274-M277 PolarHBondContact O-N 3.15Å; T274-N278 WeakPolarHBondContact O-CB 3.3Å; T274-N278 VanDerWaalsContact O-CG 3.25Å; T274-N278 PolarHBondContact O-N 3.17Å; T274-N278 PolarHBondContact O-ND2 3.41Å; T274-Y297 WeakPolarHBondContact CB-OH 3.3Å; T274-Y297 VanDerWaalsContact CG2-OH 3.29Å; T274-Y297 WeakPolarHBondContact CG2-OH 3.28Å; T274-Y297 PolarHBondContact OG1-OH 3.25Å
275H95.9Very high93.5Very high112 Ų11248.7 Ų48.752%0.51928%0.278SS..Hα-helixtrans-63.4-48.6178.5-173.5-169.3000111.1N271 E272 A273 M277 N278 A279N271-H275 WeakPolarHBondContact O-CB 3.41Å; N271-H275 PolarHBondContact O-N 3.49Å; E272-H275 PolarHBondContact O-N 3.42Å; A273-H275 VanDerWaalsContact C-N 3.32Å; A273-H275 PolarHBondContact O-N 2.89Å; H275-M277 PolarHBondContact O-N 3.14Å; H275-N278 PolarHBondContact O-N 2.8Å; H275-A279 WeakPolarHBondContact O-CB 3.45Å; H275-A279 PolarHBondContact O-N 2.71Å
276A96.2Very high92.8Very high0 Ų056.7 Ų56.70%032%0.32CS..Hα-helixtrans-61.6-42.1175.900000112.1L225 F246 Y267 E272 A273 A279 L280L225-A276 HydrophobicContact CD1-CB 4.2Å; F246-A276 HydrophobicContact CB-CB 4.04Å; F246-A276 HydrophobicContact CD1-CB 4.13Å; F246-A276 HydrophobicContact CD2-CB 4.28Å; F246-A276 HydrophobicContact CG-CB 3.87Å; Y267-A276 HydrophobicContact CE1-CB 3.93Å; Y267-A276 HydrophobicContact CE2-CB 3.75Å; Y267-A276 VanDerWaalsContact OH-CB 3.3Å; Y267-A276 WeakPolarHBondContact OH-CB 3.41Å; E272-A276 PolarHBondContact O-N 3.1Å; A273-A276 PolarHBondContact O-N 3.29Å; A276-A279 PolarHBondContact O-N 2.79Å; A276-L280 VanDerWaalsContact O-CB 3.29Å; A276-L280 WeakPolarHBondContact O-CB 3.42Å; A276-L280 WeakPolarHBondContact O-CG 3.49Å; A276-L280 PolarHBondContact O-N 3.33Å
277M95.1Very high92.2Very high24 Ų2459.1 Ų59.112%0.11834%0.337CS..Hα-helixtrans-59.1-49.4176.3-178.3179.870.900111.6L225 A273 T274 H275 A279 Q281 I295 Y297L225-M277 HydrophobicContact CD1-CB 3.99Å; L225-M277 HydrophobicContact CD2-CB 3.89Å; L225-M277 HydrophobicContact CD2-CG 4.37Å; L225-M277 HydrophobicContact CD2-SD 4.24Å; A273-M277 VanDerWaalsContact O-CB 3.27Å; A273-M277 WeakPolarHBondContact O-CB 3.48Å; A273-M277 PolarHBondContact O-N 2.97Å; T274-M277 PolarHBondContact O-N 3.15Å; H275-M277 PolarHBondContact O-N 3.14Å; M277-A279 VanDerWaalsContact C-N 3.34Å; M277-A279 PolarHBondContact O-N 2.89Å; M277-Q281 VanDerWaalsContact O-CB 3.29Å; M277-Q281 WeakPolarHBondContact O-CB 3.36Å; M277-Q281 PolarHBondContact O-N 3.07Å; M277-I295 HydrophobicContact CB-CG2 4.17Å; M277-I295 HydrophobicContact CG-CB 4.14Å; M277-I295 HydrophobicContact CG-CG2 3.77Å; M277-Y297 HydrophobicContact CE-CD2 4.32Å; M277-Y297 HydrophobicContact CE-CE1 4.19Å; M277-Y297 HydrophobicContact CE-CE2 3.62Å; M277-Y297 HydrophobicContact SD-CD1 4.45Å; M277-Y297 HydrophobicContact SD-CD2 4.27Å; M277-Y297 HydrophobicContact SD-CE1 4.34Å; M277-Y297 HydrophobicContact SD-CE2 4.14Å; M277-Y297 HydrophobicContact SD-CG 4.43Å
278N94.4Very high91.4Very high111 Ų11159.7 Ų59.759%0.59434%0.341SS*.Hα-helixtrans-66.4-35.9-178.6-70.5-19.2000112.5T274 H275T274-N278 WeakPolarHBondContact O-CB 3.3Å; T274-N278 VanDerWaalsContact O-CG 3.25Å; T274-N278 PolarHBondContact O-N 3.17Å; T274-N278 PolarHBondContact O-ND2 3.41Å; H275-N278 PolarHBondContact O-N 2.8Å
279A94.4Very high90.8Very high55 Ų5563.1 Ų63.146%0.45535%0.351SS..Hα-helixtrans-76.6-34.2-179.500000113.2F246 H275 A276 M277F246-A279 HydrophobicContact CE1-CB 3.42Å; F246-A279 VanDerWaalsContact CE1-CB 3.42Å; F246-A279 HydrophobicContact CZ-CB 3.48Å; F246-A279 VanDerWaalsContact CZ-CB 3.48Å; H275-A279 WeakPolarHBondContact O-CB 3.45Å; H275-A279 PolarHBondContact O-N 2.71Å; A276-A279 PolarHBondContact O-N 2.79Å; M277-A279 VanDerWaalsContact C-N 3.34Å; M277-A279 PolarHBondContact O-N 2.89Å
280L93.6Very high90.2Very high7 Ų765 Ų654%0.03735%0.352CS..Hα-helixtrans-97.7-3.9-177.1-65.5174.6000113.6V242 F243 F246 A276 G282 F283 I295V242-L280 HydrophobicContact CG1-CD1 3.95Å; V242-L280 HydrophobicContact CG1-CD2 3.47Å; V242-L280 VanDerWaalsContact CG1-CD2 3.47Å; V242-L280 HydrophobicContact CG1-CG 4.36Å; F243-L280 HydrophobicContact CD1-CD1 3.65Å; F243-L280 HydrophobicContact CD2-CD1 4.49Å; F243-L280 HydrophobicContact CE1-CD1 3.59Å; F243-L280 HydrophobicContact CE2-CD1 4.43Å; F243-L280 HydrophobicContact CG-CD1 4.11Å; F243-L280 HydrophobicContact CZ-CD1 3.98Å; F246-L280 HydrophobicContact CD2-CD1 4.04Å; F246-L280 HydrophobicContact CD2-CG 4.45Å; F246-L280 HydrophobicContact CE2-CD1 3.63Å; F246-L280 HydrophobicContact CE2-CD2 3.79Å; F246-L280 HydrophobicContact CE2-CG 3.6Å; F246-L280 HydrophobicContact CZ-CD1 4.41Å; F246-L280 HydrophobicContact CZ-CD2 4.17Å; F246-L280 HydrophobicContact CZ-CG 3.94Å; A276-L280 VanDerWaalsContact O-CB 3.29Å; A276-L280 WeakPolarHBondContact O-CB 3.42Å; A276-L280 WeakPolarHBondContact O-CG 3.49Å; A276-L280 PolarHBondContact O-N 3.33Å; L280-G282 PolarHBondContact O-N 3.27Å; L280-F283 HydrophobicContact CB-CB 4.49Å; L280-F283 HydrophobicContact CD2-CB 4.24Å; L280-F283 HydrophobicContact CD2-CD1 4.38Å; L280-F283 HydrophobicContact CD2-CD2 4.46Å; L280-F283 HydrophobicContact CD2-CG 4.12Å; L280-F283 VanDerWaalsContact O-CB 3.22Å; L280-F283 WeakPolarHBondContact O-CB 3.49Å; L280-F283 PolarHBondContact O-N 2.7Å; L280-I295 HydrophobicContact CB-CD1 3.37Å
281Q91.2Very high89.8Confident102 Ų10262.6 Ų62.648%0.47734%0.344SS..THydrogen-bonded Turntrans-62.9121.3175.3-170.572.7-48.100109.6M277 F283 I295M277-Q281 VanDerWaalsContact O-CB 3.29Å; M277-Q281 WeakPolarHBondContact O-CB 3.36Å; M277-Q281 PolarHBondContact O-N 3.07Å; Q281-F283 VanDerWaalsContact C-N 3.32Å; Q281-I295 PolarHBondContact NE2-O 3.03Å; Q281-I295 VanDerWaalsContact NE2-O 3.09Å; Q281-I295 PolarHBondContact OE1-O 3.37Å
282G86.6Confident89.5Confident42 Ų4259.2 Ų59.243%0.43333%0.33SS..THydrogen-bonded Turntrans85.5-0.3-176.900000114.7L280 P292 L293L280-G282 PolarHBondContact O-N 3.27Å; G282-P292 WeakPolarHBondContact O-CB 3.39Å; G282-L293 PolarHBondContact N-O 2.87Å; G282-L293 VanDerWaalsContact N-O 3.16Å
283F89.1Confident89.4Confident84 Ų8456.9 Ų56.937%0.36832%0.319SS..  trans-66138.2179.8-171.7-104.3000111V242 L280 Q281 L285 P292 L293V242-F283 HydrophobicContact CG1-CD1 4.15Å; V242-F283 HydrophobicContact CG1-CE1 4.03Å; V242-F283 HydrophobicContact CG2-CE1 4.12Å; L280-F283 HydrophobicContact CB-CB 4.49Å; L280-F283 HydrophobicContact CD2-CB 4.24Å; L280-F283 HydrophobicContact CD2-CD1 4.38Å; L280-F283 HydrophobicContact CD2-CD2 4.46Å; L280-F283 HydrophobicContact CD2-CG 4.12Å; L280-F283 VanDerWaalsContact O-CB 3.22Å; L280-F283 WeakPolarHBondContact O-CB 3.49Å; L280-F283 PolarHBondContact O-N 2.7Å; Q281-F283 VanDerWaalsContact C-N 3.32Å; F283-L285 HydrophobicContact CD1-CD2 4.19Å; F283-L285 HydrophobicContact CE1-CD2 4Å; F283-P292 CarbonylContact O-C 3.57Å; F283-P292 WeakPolarHBondContact O-CA 3.4Å; F283-L293 HydrophobicContact CB-CD1 4.41Å; F283-L293 HydrophobicContact CD1-CD1 4.3Å; F283-L293 WeakPolarHBondContact O-CB 3.24Å; F283-L293 VanDerWaalsContact O-CG 3.31Å; F283-L293 WeakPolarHBondContact O-CG 3.3Å; F283-L293 PolarHBondContact O-N 3.22Å
284V88Confident89.2Confident78 Ų7864 Ų6447%0.47335%0.346SS..  trans-107.2118.7178.8-177.20000108.5P292V284-P292 HydrophobicContact CG2-CB 3.96Å
285L85.9Confident89.1Confident3 Ų362.4 Ų62.42%0.01634%0.336CS..  trans-71.7146173.9-67.6173.1000110.3L230 V234 E238 L239 V242 F283 S287 S288 L293L230-L285 HydrophobicContact CD2-CD1 4.26Å; V234-L285 HydrophobicContact CB-CD1 4.42Å; V234-L285 HydrophobicContact CG1-CD1 3.59Å; V234-L285 HydrophobicContact CG2-CD1 3.88Å; E238-L285 HydrophobicContact CG-CD2 4.13Å; E238-L285 WeakPolarHBondContact OE1-CB 3.33Å; L239-L285 HydrophobicContact CD2-CD1 3.68Å; L239-L285 HydrophobicContact CG-CD1 4.47Å; V242-L285 HydrophobicContact CG2-CD2 3.89Å; F283-L285 HydrophobicContact CD1-CD2 4.19Å; F283-L285 HydrophobicContact CE1-CD2 4Å; L285-S287 PolarHBondContact O-N 3.28Å; L285-S288 PolarHBondContact O-N 2.76Å; L285-S288 VanDerWaalsContact O-N 3.1Å; L285-L293 HydrophobicContact CD1-CD1 4.4Å; L285-L293 HydrophobicContact CD1-CD2 3.87Å; L285-L293 HydrophobicContact CD1-CG 4.49Å; L285-L293 HydrophobicContact CD2-CD1 4.47Å; L285-L293 HydrophobicContact CG-CD1 4.21Å; L285-L293 HydrophobicContact CG-CD2 4.22Å; L285-L293 HydrophobicContact CG-CG 4.34Å
286L82.2Confident89.1Confident167 Ų16761.5 Ų61.587%0.87433%0.332SS*.THydrogen-bonded Turntrans-63.4-33.6179.6-84.272.3000111E238 S288E238-L286 PolarHBondContact OE1-N 2.95Å; L286-S288 VanDerWaalsContact C-N 3.34Å
287S81.5Confident89.1Confident51 Ų5162.9 Ų62.936%0.35734%0.337SS..THydrogen-bonded Turntrans-86.10.3178.7-41.20000113.9E238 L285E238-S287 VanDerWaalsContact CD-OG 3.27Å; E238-S287 PolarHBondContact OE1-N 3.49Å; E238-S287 PolarHBondContact OE1-OG 3.21Å; E238-S287 WeakPolarHBondContact OE2-CB 3.32Å; E238-S287 PolarHBondContact OE2-OG 3.3Å; L285-S287 PolarHBondContact O-N 3.28Å
288S79.7Confident89Confident12 Ų1262 Ų628%0.08433%0.334CS..  trans-102.1115.6-175.8-172.30000112L285 L286 G291L285-S288 PolarHBondContact O-N 2.76Å; L285-S288 VanDerWaalsContact O-N 3.1Å; L286-S288 VanDerWaalsContact C-N 3.34Å; S288-G291 PolarHBondContact OG-O 2.69Å
289D80.1Confident88.7Confident126 Ų12667.7 Ų67.767%0.67435%0.347SS*.SBendtrans-87.1-13.1171.666.4-26.8000113.2S231 G291S231-D289 WeakPolarHBondContact CB-OD1 3.5Å; S231-D289 PolarHBondContact OG-OD1 3.05Å; D289-G291 VanDerWaalsContact C-N 3.25Å; D289-G291 PolarHBondContact O-N 3.32Å
290R81.9Confident88.3Confident103 Ų10369 Ų6939%0.38935%0.353SS..SBendtrans-79.1-4.9-178-68.6-158.1-178.3-163.23.3114.9N229N229-R290 PolarHBondContact ND2-O 3.17Å; N229-R290 VanDerWaalsContact ND2-O 3.1Å
291G85.6Confident88Confident21 Ų2175.5 Ų75.522%0.21638%0.377CS..  trans95-156.9-176.900000113.3S288 D289S288-G291 PolarHBondContact OG-O 2.69Å; D289-G291 VanDerWaalsContact C-N 3.25Å; D289-G291 PolarHBondContact O-N 3.32Å
292P90.9Very high87.5Confident61 Ų6171.5 Ų71.540%0.39636%0.358SS..SBendtrans-74.7152.3-165.628.7-35.1000113.6N229 G282 F283 V284N229-P292 PolarHBondContact ND2-O 3Å; G282-P292 WeakPolarHBondContact O-CB 3.39Å; F283-P292 CarbonylContact O-C 3.57Å; F283-P292 WeakPolarHBondContact O-CA 3.4Å; V284-P292 HydrophobicContact CG2-CB 3.96Å
293L92.8Very high86.8Confident2 Ų274 Ų741%0.0137%0.367CS..  trans-62136173.8-65.4-175.5000110.8V227 L230 F243 G282 F283 L285 I295V227-L293 HydrophobicContact CG1-CD1 4.47Å; V227-L293 HydrophobicContact CG1-CD2 4.06Å; L230-L293 HydrophobicContact CD2-CD2 3.33Å; F243-L293 HydrophobicContact CE2-CD1 4.45Å; G282-L293 PolarHBondContact N-O 2.87Å; G282-L293 VanDerWaalsContact N-O 3.16Å; F283-L293 HydrophobicContact CB-CD1 4.41Å; F283-L293 HydrophobicContact CD1-CD1 4.3Å; F283-L293 WeakPolarHBondContact O-CB 3.24Å; F283-L293 VanDerWaalsContact O-CG 3.31Å; F283-L293 WeakPolarHBondContact O-CG 3.3Å; F283-L293 PolarHBondContact O-N 3.22Å; L285-L293 HydrophobicContact CD1-CD1 4.4Å; L285-L293 HydrophobicContact CD1-CD2 3.87Å; L285-L293 HydrophobicContact CD1-CG 4.49Å; L285-L293 HydrophobicContact CD2-CD1 4.47Å; L285-L293 HydrophobicContact CG-CD1 4.21Å; L285-L293 HydrophobicContact CG-CD2 4.22Å; L285-L293 HydrophobicContact CG-CG 4.34Å; L293-I295 HydrophobicContact CB-CG1 4.34Å
294R92.1Very high85.8Confident148 Ų14877.6 Ų77.656%0.55839%0.385SS*.EExtended strand (participates in β ladder)trans-109.8113.8171.2-59.6-178.294.8-127.65.3108.2A228 N229A228-R294 HydrophobicContact CB-CB 4.36Å; A228-R294 PolarHBondContact N-O 2.83Å; A228-R294 PolarHBondContact O-N 2.8Å; N229-R294 HydrophobicContact CB-CG 4.05Å
295I94.7Very high84.3Confident2 Ų277.6 Ų77.61%0.0139%0.385CS..EExtended strand (participates in β ladder)trans-115.5131.1-175.9-48.5176.8000108.8L225 F226 V227 F243 M277 L280 Q281 L293L225-I295 HydrophobicContact CB-CG2 3.91Å; L225-I295 HydrophobicContact CD1-CG2 4.02Å; L225-I295 HydrophobicContact CD2-CG2 4.42Å; L225-I295 HydrophobicContact CG-CG2 4.34Å; F226-I295 WeakPolarHBondContact O-CA 3.31Å; V227-I295 HydrophobicContact CG1-CG1 4.45Å; F243-I295 HydrophobicContact CE1-CD1 4.03Å; F243-I295 HydrophobicContact CZ-CD1 3.83Å; F243-I295 HydrophobicContact CZ-CG1 4.49Å; M277-I295 HydrophobicContact CB-CG2 4.17Å; M277-I295 HydrophobicContact CG-CB 4.14Å; M277-I295 HydrophobicContact CG-CG2 3.77Å; L280-I295 HydrophobicContact CB-CD1 3.37Å; Q281-I295 PolarHBondContact NE2-O 3.03Å; Q281-I295 VanDerWaalsContact NE2-O 3.09Å; Q281-I295 PolarHBondContact OE1-O 3.37Å; L293-I295 HydrophobicContact CB-CG1 4.34Å
296E94.9Very high82.5Confident92 Ų9280.4 Ų80.443%0.4341%0.408SS..EExtended strand (participates in β ladder)trans-137.4160.1177.7-64.7176-167.300109F226 A298F226-E296 PolarHBondContact N-O 2.9Å; F226-E296 PolarHBondContact O-N 3.04Å; E296-A298 PolarHBondContact O-N 3.4Å
297Y96.1Very high80.8Confident30 Ų3075.5 Ų75.512%0.11838%0.383CS..EExtended strand (participates in β ladder)trans-65.1133.9169.8-65.2-70.8000110S219 P221 C222 L225 T274 M277S219-Y297 WeakPolarHBondContact OG-CD2 3.26Å; P221-Y297 HydrophobicContact CB-CE1 4.31Å; P221-Y297 HydrophobicContact CB-CE2 4.31Å; P221-Y297 HydrophobicContact CG-CE2 4.41Å; C222-Y297 HydrophobicContact CB-CD1 4.27Å; C222-Y297 VanDerWaalsContact O-CD1 3.27Å; C222-Y297 WeakPolarHBondContact O-CD1 3.46Å; L225-Y297 HydrophobicContact CD2-CD1 3.98Å; L225-Y297 HydrophobicContact CD2-CE1 4.31Å; T274-Y297 WeakPolarHBondContact CB-OH 3.3Å; T274-Y297 VanDerWaalsContact CG2-OH 3.29Å; T274-Y297 WeakPolarHBondContact CG2-OH 3.28Å; T274-Y297 PolarHBondContact OG1-OH 3.25Å; M277-Y297 HydrophobicContact CE-CD2 4.32Å; M277-Y297 HydrophobicContact CE-CE1 4.19Å; M277-Y297 HydrophobicContact CE-CE2 3.62Å; M277-Y297 HydrophobicContact SD-CD1 4.45Å; M277-Y297 HydrophobicContact SD-CD2 4.27Å; M277-Y297 HydrophobicContact SD-CE1 4.34Å; M277-Y297 HydrophobicContact SD-CE2 4.14Å; M277-Y297 HydrophobicContact SD-CG 4.43Å
298A93.4Very high79.2Confident6 Ų678.7 Ų78.75%0.0540%0.401CS..  trans-64.2146.8173.800000110.1T224 F226 F264 E296 S300T224-A298 HydrophobicContact CG2-CB 3.73Å; T224-A298 WeakPolarHBondContact O-CB 3.37Å; T224-A298 PolarHBondContact O-N 2.68Å; F226-A298 HydrophobicContact CB-CB 4.4Å; F264-A298 HydrophobicContact CD1-CB 4.05Å; F264-A298 HydrophobicContact CE1-CB 4.1Å; E296-A298 PolarHBondContact O-N 3.4Å; A298-S300 WeakPolarHBondContact CB-O 3.03Å; A298-S300 PolarHBondContact O-N 2.9Å; A298-S300 VanDerWaalsContact O-N 3.12Å
299R88.2Confident77.9Confident230 Ų23084.4 Ų84.487%0.86843%0.43SS*.SBendtrans-62.3-20.2178.8-64.2-176.4176.9-166.6-5.3113.4
300S86.6Confident76.8Confident81 Ų8179.5 Ų79.557%0.56641%0.407SS*.SBendtrans-152.9155.3178.860.30000109.8A298 M302A298-S300 WeakPolarHBondContact CB-O 3.03Å; A298-S300 PolarHBondContact O-N 2.9Å; A298-S300 VanDerWaalsContact O-N 3.12Å; S300-M302 PolarHBondContact O-N 3.45Å
301R85.6Confident75.5Confident144 Ų14481 Ų8154%0.54341%0.413SS..PPolyproline II helixtrans-55.3140.8170-170.3174.7-175.9-169.61.5109.6E266E266-R301 IonicContact OE1-CZ 3.81Å; E266-R301 VanDerWaalsContact OE1-CZ 3.27Å; E266-R301 IonicContact OE1-NE 2.84Å; E266-R301 PolarHBondContact OE1-NE 2.88Å; E266-R301 IonicContact OE1-NH2 2.91Å; E266-R301 PolarHBondContact OE1-NH2 3.46Å
302M81.9Confident74.8Confident18 Ų1883.4 Ų83.49%0.08943%0.425CS..PPolyproline II helixtrans-53.5129.4177.6-166.2156154.200109.4T224 R251 K253 F264 E266 S300 E304T224-M302 HydrophobicContact CG2-CB 3.77Å; T224-M302 PolarHBondContact OG1-N 2.73Å; R251-M302 HydrophobicContact CG-CE 3.96Å; R251-M302 HydrophobicContact CG-SD 4.04Å; K253-M302 HydrophobicContact CB-CE 3.15Å; K253-M302 HydrophobicContact CB-SD 4.29Å; K253-M302 HydrophobicContact CD-CE 3.96Å; K253-M302 HydrophobicContact CG-CE 4.2Å; F264-M302 HydrophobicContact CB-SD 3.93Å; E266-M302 HydrophobicContact CB-CB 4.2Å; E266-M302 HydrophobicContact CB-SD 4.23Å; S300-M302 PolarHBondContact O-N 3.45Å; M302-E304 PolarHBondContact O-N 3.27Å; M302-E304 VanDerWaalsContact O-N 3.11Å
303P72.4Confident73.8Confident96 Ų9685.9 Ų85.962%0.62343%0.434SS*.PPolyproline II helixtrans-54.6126177.4-22.431.2000108V305P303-V305 PolarHBondContact O-N 3.42Å
304E66.6Low72.6Confident159 Ų15992.8 Ų92.874%0.74346%0.46SS*.PPolyproline II helixtrans-50.6134.5172.7-158.7169.5-147.400107.6M302 A306M302-E304 PolarHBondContact O-N 3.27Å; M302-E304 VanDerWaalsContact O-N 3.11Å; E304-A306 VanDerWaalsContact C-N 3.29Å; E304-A306 WeakPolarHBondContact O-CA 3.31Å; E304-A306 PolarHBondContact O-N 2.95Å
305V56.5Low71.9Confident77 Ų7790.2 Ų90.247%0.46746%0.457SS..  trans-52.6103.7-173-175.60000106.4P303 N307P303-V305 PolarHBondContact O-N 3.42Å; V305-N307 HydrophobicContact CG1-CB 3.9Å; V305-N307 PolarHBondContact O-N 3.34Å
306A49.6Very low71.2Confident62 Ų6292.5 Ų92.551%0.51248%0.476SS..THydrogen-bonded Turntrans-68.414.4-170.500000110.9E304 T308 L309 A310E304-A306 VanDerWaalsContact C-N 3.29Å; E304-A306 WeakPolarHBondContact O-CA 3.31Å; E304-A306 PolarHBondContact O-N 2.95Å; A306-T308 PolarHBondContact O-N 3.2Å; A306-L309 PolarHBondContact O-N 2.82Å; A306-A310 HydrophobicContact CB-CB 4.31Å; A306-A310 VanDerWaalsContact O-CA 3.28Å; A306-A310 WeakPolarHBondContact O-CA 3.28Å; A306-A310 WeakPolarHBondContact O-CB 3.33Å; A306-A310 PolarHBondContact O-N 3.46Å
307N45.9Very low70.4Confident64 Ų6494.2 Ų94.234%0.34248%0.479SS..Hα-helixtrans-50.1-42.8172.2-88.96.2000111.4V305 L309 Y311V305-N307 HydrophobicContact CG1-CB 3.9Å; V305-N307 PolarHBondContact O-N 3.34Å; N307-L309 VanDerWaalsContact C-N 3.31Å; N307-L309 PolarHBondContact O-N 2.95Å; N307-Y311 VanDerWaalsContact C-CD2 3.46Å; N307-Y311 HydrophobicContact CB-CD2 3.76Å; N307-Y311 HydrophobicContact CB-CE2 3.32Å; N307-Y311 PolarHBondContact ND2-OH 3.27Å; N307-Y311 WeakPolarHBondContact O-CB 3.26Å; N307-Y311 WeakPolarHBondContact O-CD2 3.19Å; N307-Y311 PolarHBondContact O-N 2.93Å
308T48.2Very low69.8Low119 Ų11998.1 Ų98.173%0.7350%0.501SS*.Hα-helixtrans-65.9-27.8-177.3-37.30000114.1A306 P312A306-T308 PolarHBondContact O-N 3.2Å; T308-P312 WeakPolarHBondContact O-CD 3.32Å; T308-P312 VanDerWaalsContact O-CG 3.3Å; T308-P312 WeakPolarHBondContact O-CG 3.04Å
309L52.4Low69.5Low132 Ų132102.8 Ų102.869%0.69152%0.522SS*.Hα-helixtrans-108.7-22.6176.9-65.4179.9000113.9A306 N307 L313A306-L309 PolarHBondContact O-N 2.82Å; N307-L309 VanDerWaalsContact C-N 3.31Å; N307-L309 PolarHBondContact O-N 2.95Å; L309-L313 WeakPolarHBondContact O-CB 3.46Å; L309-L313 VanDerWaalsContact O-CG 3.29Å; L309-L313 WeakPolarHBondContact O-CG 3.46Å; L309-L313 PolarHBondContact O-N 3.49Å; L309-L313 VanDerWaalsContact O-N 3.1Å
310A55.8Low69.5Low23 Ų2398.3 Ų98.319%0.1951%0.509CS..Hα-helixtrans-80.4-28.8176.900000111.8A306 R314A306-A310 HydrophobicContact CB-CB 4.31Å; A306-A310 VanDerWaalsContact O-CA 3.28Å; A306-A310 WeakPolarHBondContact O-CA 3.28Å; A306-A310 WeakPolarHBondContact O-CB 3.33Å; A306-A310 PolarHBondContact O-N 3.46Å; A310-R314 WeakPolarHBondContact O-CB 3.38Å; A310-R314 WeakPolarHBondContact O-CG 3.5Å; A310-R314 PolarHBondContact O-N 3.4Å
311Y56.2Low69.7Low134 Ų13497.4 Ų97.453%0.52550%0.5SS..Hα-helixtrans-64.9-51.7169.8-71.7-58.8000110.8N307 L313 R314 L315N307-Y311 VanDerWaalsContact C-CD2 3.46Å; N307-Y311 HydrophobicContact CB-CD2 3.76Å; N307-Y311 HydrophobicContact CB-CE2 3.32Å; N307-Y311 PolarHBondContact ND2-OH 3.27Å; N307-Y311 WeakPolarHBondContact O-CB 3.26Å; N307-Y311 WeakPolarHBondContact O-CD2 3.19Å; N307-Y311 PolarHBondContact O-N 2.93Å; Y311-L313 PolarHBondContact O-N 3.49Å; Y311-R314 PolarHBondContact O-N 3.5Å; Y311-L315 WeakPolarHBondContact O-CB 3.35Å; Y311-L315 PolarHBondContact O-N 2.8Å
312P70.1Confident69.9Low71 Ų7194.5 Ų94.546%0.46150%0.495SS..Hα-helixtrans-56.4-44.5173-2733.8000113.7T308 L315 A316T308-P312 WeakPolarHBondContact O-CD 3.32Å; T308-P312 VanDerWaalsContact O-CG 3.3Å; T308-P312 WeakPolarHBondContact O-CG 3.04Å; P312-L315 PolarHBondContact O-N 3.45Å; P312-A316 VanDerWaalsContact O-CB 3.29Å; P312-A316 WeakPolarHBondContact O-CB 3.44Å; P312-A316 PolarHBondContact O-N 2.91Å
313L69.4Low70.4Confident113 Ų11398.5 Ų98.559%0.59251%0.514SS*.Hα-helixtrans-69.2-38.8179.6-74.3173.2000113.3L309 Y311 R317L309-L313 WeakPolarHBondContact O-CB 3.46Å; L309-L313 VanDerWaalsContact O-CG 3.29Å; L309-L313 WeakPolarHBondContact O-CG 3.46Å; L309-L313 PolarHBondContact O-N 3.49Å; L309-L313 VanDerWaalsContact O-N 3.1Å; Y311-L313 PolarHBondContact O-N 3.49Å; L313-R317 WeakPolarHBondContact O-CB 3.42Å; L313-R317 VanDerWaalsContact O-CG 3.28Å; L313-R317 WeakPolarHBondContact O-CG 2.82Å; L313-R317 PolarHBondContact O-N 3.46Å; L313-R317 VanDerWaalsContact O-N 3.08Å
314R67.9Low71.3Confident148 Ų14898.9 Ų98.956%0.55851%0.508SS*.Hα-helixtrans-68.2-39.8173.8-77177177156.3-1.8110.9A310 Y311 R317 L318A310-R314 WeakPolarHBondContact O-CB 3.38Å; A310-R314 WeakPolarHBondContact O-CG 3.5Å; A310-R314 PolarHBondContact O-N 3.4Å; Y311-R314 PolarHBondContact O-N 3.5Å; R314-R317 WeakPolarHBondContact O-CB 3.37Å; R314-R317 PolarHBondContact O-N 2.73Å; R314-L318 WeakPolarHBondContact O-CB 3.09Å; R314-L318 VanDerWaalsContact O-CG 3.3Å; R314-L318 WeakPolarHBondContact O-CG 3.36Å; R314-L318 PolarHBondContact O-N 3.12Å
315L78.1Confident72.4Confident94 Ų9496.1 Ų96.149%0.49250%0.498SS..Hα-helixtrans-64.1-49.3177.8-173.363.9000110.4Y311 P312 R317 L318 E319Y311-L315 WeakPolarHBondContact O-CB 3.35Å; Y311-L315 PolarHBondContact O-N 2.8Å; P312-L315 PolarHBondContact O-N 3.45Å; L315-R317 VanDerWaalsContact C-N 3.25Å; L315-R317 PolarHBondContact O-N 2.69Å; L315-L318 CarbonylContact O-C 3.47Å; L315-L318 WeakPolarHBondContact O-CA 3.36Å; L315-L318 WeakPolarHBondContact O-CB 3.34Å; L315-L318 PolarHBondContact O-N 3.35Å; L315-E319 HydrophobicContact CD1-CG 4.48Å; L315-E319 HydrophobicContact CG-CG 4.37Å; L315-E319 WeakPolarHBondContact O-CB 3.43Å; L315-E319 WeakPolarHBondContact O-CG 3.35Å; L315-E319 PolarHBondContact O-N 2.89Å
316A78.8Confident74Confident50 Ų5098.2 Ų98.241%0.41350%0.503SS..Hα-helixtrans-58.6-37175.300000112.5P312 K320P312-A316 VanDerWaalsContact O-CB 3.29Å; P312-A316 WeakPolarHBondContact O-CB 3.44Å; P312-A316 PolarHBondContact O-N 2.91Å; A316-K320 WeakPolarHBondContact O-CB 3.48Å; A316-K320 PolarHBondContact O-N 2.85Å
317R77.8Confident76Confident128 Ų128101.1 Ų101.148%0.48351%0.505SS..Hα-helixtrans-64.2-45.7172.4-78.5177.6-177.2-176.3-4.3111.9L161 L313 R314 L315 K320 T321L161-R317 HydrophobicContact CD1-CG 3.69Å; L313-R317 WeakPolarHBondContact O-CB 3.42Å; L313-R317 VanDerWaalsContact O-CG 3.28Å; L313-R317 WeakPolarHBondContact O-CG 2.82Å; L313-R317 PolarHBondContact O-N 3.46Å; L313-R317 VanDerWaalsContact O-N 3.08Å; R314-R317 WeakPolarHBondContact O-CB 3.37Å; R314-R317 PolarHBondContact O-N 2.73Å; L315-R317 VanDerWaalsContact C-N 3.25Å; L315-R317 PolarHBondContact O-N 2.69Å; R317-K320 PolarHBondContact O-N 3.42Å; R317-T321 WeakPolarHBondContact O-CG2 3.32Å; R317-T321 PolarHBondContact O-N 3.08Å; R317-T321 PolarHBondContact O-OG1 2.96Å
318L83.6Confident78.1Confident111 Ų111104.6 Ų104.658%0.58152%0.518SS*.Hα-helixtrans-66.1-43.4179.8-73.9168.6000111.8R314 L315 K320 T321 N322R314-L318 WeakPolarHBondContact O-CB 3.09Å; R314-L318 VanDerWaalsContact O-CG 3.3Å; R314-L318 WeakPolarHBondContact O-CG 3.36Å; R314-L318 PolarHBondContact O-N 3.12Å; L315-L318 CarbonylContact O-C 3.47Å; L315-L318 WeakPolarHBondContact O-CA 3.36Å; L315-L318 WeakPolarHBondContact O-CB 3.34Å; L315-L318 PolarHBondContact O-N 3.35Å; L318-K320 VanDerWaalsContact C-N 3.35Å; L318-K320 PolarHBondContact O-N 2.95Å; L318-T321 VanDerWaalsContact CA-OG1 3.3Å; L318-T321 WeakPolarHBondContact CA-OG1 3.48Å; L318-T321 PolarHBondContact O-N 3.11Å; L318-T321 PolarHBondContact O-OG1 3.28Å; L318-N322 WeakPolarHBondContact O-CB 3.4Å; L318-N322 PolarHBondContact O-N 3.4Å
319E88.4Confident80Confident105 Ų105105.7 Ų105.749%0.49151%0.513SS..Hα-helixtrans-58-47.3174.3-72.7170169.800110.6L315 T321 N322 E323L315-E319 HydrophobicContact CD1-CG 4.48Å; L315-E319 HydrophobicContact CG-CG 4.37Å; L315-E319 WeakPolarHBondContact O-CB 3.43Å; L315-E319 WeakPolarHBondContact O-CG 3.35Å; L315-E319 PolarHBondContact O-N 2.89Å; E319-T321 VanDerWaalsContact C-N 3.34Å; E319-T321 PolarHBondContact O-N 2.92Å; E319-N322 WeakPolarHBondContact O-CB 3.33Å; E319-N322 PolarHBondContact O-N 3.15Å; E319-N322 VanDerWaalsContact O-N 3.09Å; E319-E323 PolarHBondContact O-N 2.94Å
320K87Confident81.7Confident135 Ų135104.8 Ų104.859%0.58751%0.505SS*.Hα-helixtrans-64.1-38177.6-162.473.2-157.5159.30112.9A316 R317 L318 N322 E323 M324A316-K320 WeakPolarHBondContact O-CB 3.48Å; A316-K320 PolarHBondContact O-N 2.85Å; R317-K320 PolarHBondContact O-N 3.42Å; L318-K320 VanDerWaalsContact C-N 3.35Å; L318-K320 PolarHBondContact O-N 2.95Å; K320-N322 VanDerWaalsContact C-N 3.33Å; K320-E323 IonicContact NZ-OE2 3.67Å; K320-E323 PolarHBondContact NZ-OE2 3.17Å; K320-M324 WeakPolarHBondContact O-CB 3.39Å; K320-M324 PolarHBondContact O-N 3.05Å; K320-M324 VanDerWaalsContact O-N 3.12Å
321T90.8Very high83.2Confident63 Ų63107 Ų10739%0.38751%0.514SS..Hα-helixtrans-66.2-36.7173.451.40000112R317 L318 E319 M324 L325R317-T321 WeakPolarHBondContact O-CG2 3.32Å; R317-T321 PolarHBondContact O-N 3.08Å; R317-T321 PolarHBondContact O-OG1 2.96Å; L318-T321 VanDerWaalsContact CA-OG1 3.3Å; L318-T321 WeakPolarHBondContact CA-OG1 3.48Å; L318-T321 PolarHBondContact O-N 3.11Å; L318-T321 PolarHBondContact O-OG1 3.28Å; E319-T321 VanDerWaalsContact C-N 3.34Å; E319-T321 PolarHBondContact O-N 2.92Å; T321-M324 PolarHBondContact O-N 3.18Å; T321-L325 WeakPolarHBondContact O-CG 3.37Å; T321-L325 PolarHBondContact O-N 2.93Å
322N91Very high84.6Confident83 Ų83102.2 Ų102.244%0.44450%0.499SS..Hα-helixtrans-67.2-46.6177.7-166.254.3000111.5L318 E319 K320 M324 L325 E326L318-N322 WeakPolarHBondContact O-CB 3.4Å; L318-N322 PolarHBondContact O-N 3.4Å; E319-N322 WeakPolarHBondContact O-CB 3.33Å; E319-N322 PolarHBondContact O-N 3.15Å; E319-N322 VanDerWaalsContact O-N 3.09Å; K320-N322 VanDerWaalsContact C-N 3.33Å; N322-M324 VanDerWaalsContact C-N 3.26Å; N322-M324 PolarHBondContact O-N 2.82Å; N322-L325 WeakPolarHBondContact O-CB 3.39Å; N322-L325 PolarHBondContact O-N 2.91Å; N322-L325 VanDerWaalsContact O-N 3.1Å; N322-E326 PolarHBondContact ND2-OE1 3Å; N322-E326 VanDerWaalsContact ND2-OE1 3.15Å; N322-E326 WeakPolarHBondContact O-CG 3.5Å; N322-E326 PolarHBondContact O-N 3.36Å
323E92.3Very high85.3Confident102 Ų102100.7 Ų100.748%0.47749%0.49SS..Hα-helixtrans-55.6-41.9173.5-72.8-179.6175.600112.2E319 K320 E326 H327E319-E323 PolarHBondContact O-N 2.94Å; K320-E323 IonicContact NZ-OE2 3.67Å; K320-E323 PolarHBondContact NZ-OE2 3.17Å; E323-E326 PolarHBondContact O-N 3.02Å; E323-H327 WeakPolarHBondContact O-CB 3.34Å; E323-H327 PolarHBondContact O-N 3Å
324M91.6Very high86.1Confident103 Ų10399 Ų9951%0.50749%0.485SS..Hα-helixtrans-66.1-38.9178.5-177.1-107.6-65.800111.9K320 T321 N322 H327 F328K320-M324 WeakPolarHBondContact O-CB 3.39Å; K320-M324 PolarHBondContact O-N 3.05Å; K320-M324 VanDerWaalsContact O-N 3.12Å; T321-M324 PolarHBondContact O-N 3.18Å; N322-M324 VanDerWaalsContact C-N 3.26Å; N322-M324 PolarHBondContact O-N 2.82Å; M324-H327 PolarHBondContact O-N 3.37Å; M324-F328 WeakPolarHBondContact O-CB 3.47Å; M324-F328 PolarHBondContact O-N 3.15Å
325L89.3Confident86.9Confident101 Ų101100.5 Ų100.553%0.52949%0.491SS..Hα-helixtrans-67-42175.2-73.3170.6000111.8T321 N322 H327 F328 F329T321-L325 WeakPolarHBondContact O-CG 3.37Å; T321-L325 PolarHBondContact O-N 2.93Å; N322-L325 WeakPolarHBondContact O-CB 3.39Å; N322-L325 PolarHBondContact O-N 2.91Å; N322-L325 VanDerWaalsContact O-N 3.1Å; L325-H327 VanDerWaalsContact C-N 3.34Å; L325-H327 PolarHBondContact O-N 2.82Å; L325-F328 PolarHBondContact O-N 3.17Å; L325-F329 WeakPolarHBondContact O-CB 3.28Å; L325-F329 PolarHBondContact O-N 3.17Å
326E90.5Very high87.5Confident122 Ų122100.5 Ų100.557%0.5749%0.49SS*.Hα-helixtrans-60.7-44.4174.8-73.3179.4-174.100111.2N322 E323 F328 F329 Q330N322-E326 PolarHBondContact ND2-OE1 3Å; N322-E326 VanDerWaalsContact ND2-OE1 3.15Å; N322-E326 WeakPolarHBondContact O-CG 3.5Å; N322-E326 PolarHBondContact O-N 3.36Å; E323-E326 PolarHBondContact O-N 3.02Å; E326-F328 PolarHBondContact O-N 3.03Å; E326-F329 PolarHBondContact O-N 2.98Å; E326-Q330 PolarHBondContact O-N 3.35Å
327H91.1Very high87.9Confident122 Ų122101.9 Ų101.957%0.56549%0.488SS*.Hα-helixtrans-65.3-39.8176.3-170.7-119.6000112.3E323 M324 L325 Q330 L331E323-H327 WeakPolarHBondContact O-CB 3.34Å; E323-H327 PolarHBondContact O-N 3Å; M324-H327 PolarHBondContact O-N 3.37Å; L325-H327 VanDerWaalsContact C-N 3.34Å; L325-H327 PolarHBondContact O-N 2.82Å; H327-Q330 PolarHBondContact O-N 3.48Å; H327-L331 WeakPolarHBondContact O-CB 3.42Å; H327-L331 WeakPolarHBondContact O-CG 3.24Å; H327-L331 PolarHBondContact O-N 3.03Å
328F89.8Confident88.4Confident138 Ų13899.3 Ų99.361%0.60549%0.488SS*.Hα-helixtrans-62.6-43173.6179.6-101.3000111.6M324 L325 E326 Q330 L331 S332M324-F328 WeakPolarHBondContact O-CB 3.47Å; M324-F328 PolarHBondContact O-N 3.15Å; L325-F328 PolarHBondContact O-N 3.17Å; E326-F328 PolarHBondContact O-N 3.03Å; F328-Q330 PolarHBondContact O-N 3.48Å; F328-L331 PolarHBondContact O-N 3.39Å; F328-S332 WeakPolarHBondContact O-CB 3.27Å; F328-S332 PolarHBondContact O-N 2.73Å; F328-S332 PolarHBondContact O-OG 3.22Å
329F88Confident88.7Confident142 Ų14299.3 Ų99.362%0.62349%0.487SS*.Hα-helixtrans-60.4-46.3176.4-173.4-101.5000110.9L325 E326 L331 S332 S333L325-F329 WeakPolarHBondContact O-CB 3.28Å; L325-F329 PolarHBondContact O-N 3.17Å; E326-F329 PolarHBondContact O-N 2.98Å; F329-L331 PolarHBondContact O-N 2.68Å; F329-S332 WeakPolarHBondContact CA-OG 3.41Å; F329-S332 PolarHBondContact O-N 2.92Å; F329-S332 PolarHBondContact O-OG 2.97Å; F329-S333 WeakPolarHBondContact O-CB 3.41Å; F329-S333 PolarHBondContact O-N 3.38Å
330Q89Confident88.9Confident113 Ų113101.2 Ų101.253%0.52849%0.49SS..Hα-helixtrans-61.4-44.2176.8-168.662.729.100112.6E326 H327 F328 S332 S333 T334E326-Q330 PolarHBondContact O-N 3.35Å; H327-Q330 PolarHBondContact O-N 3.48Å; F328-Q330 PolarHBondContact O-N 3.48Å; Q330-S332 VanDerWaalsContact C-N 3.34Å; Q330-S333 PolarHBondContact O-N 3.32Å; Q330-T334 WeakPolarHBondContact O-CG2 3.42Å; Q330-T334 PolarHBondContact O-N 2.94Å; Q330-T334 PolarHBondContact O-OG1 3.4Å
331L86.5Confident89.1Confident70 Ų70102 Ų10237%0.36649%0.493SS..Hα-helixtrans-65.6-36.2175.7-73.3173.6000112.4H327 F328 F329 T334 R335H327-L331 WeakPolarHBondContact O-CB 3.42Å; H327-L331 WeakPolarHBondContact O-CG 3.24Å; H327-L331 PolarHBondContact O-N 3.03Å; F328-L331 PolarHBondContact O-N 3.39Å; F329-L331 PolarHBondContact O-N 2.68Å; L331-T334 WeakPolarHBondContact CA-OG1 3.3Å; L331-T334 PolarHBondContact O-OG1 3.37Å; L331-R335 WeakPolarHBondContact O-CG 3.43Å; L331-R335 PolarHBondContact O-N 3.37Å
332S86.4Confident89.2Confident32 Ų32103.5 Ų103.522%0.22450%0.496CS..Hα-helixtrans-68.5-43.9176.975.50000111.1F328 F329 Q330 R335 I336F328-S332 WeakPolarHBondContact O-CB 3.27Å; F328-S332 PolarHBondContact O-N 2.73Å; F328-S332 PolarHBondContact O-OG 3.22Å; F329-S332 WeakPolarHBondContact CA-OG 3.41Å; F329-S332 PolarHBondContact O-N 2.92Å; F329-S332 PolarHBondContact O-OG 2.97Å; Q330-S332 VanDerWaalsContact C-N 3.34Å; S332-R335 PolarHBondContact O-N 3.23Å; S332-I336 WeakPolarHBondContact O-CB 3.45Å; S332-I336 VanDerWaalsContact O-CG1 3.26Å; S332-I336 WeakPolarHBondContact O-CG1 3.3Å; S332-I336 PolarHBondContact O-N 3.35Å
333S84.3Confident89.4Confident39 Ų39104.8 Ų104.827%0.27350%0.502SS..Hα-helixtrans-61.9-48.3178.2-177.40000111.3F329 Q330 R335 I336 E337F329-S333 WeakPolarHBondContact O-CB 3.41Å; F329-S333 PolarHBondContact O-N 3.38Å; Q330-S333 PolarHBondContact O-N 3.32Å; S333-R335 PolarHBondContact O-N 2.83Å; S333-I336 PolarHBondContact O-N 3.44Å; S333-I336 VanDerWaalsContact O-N 3.17Å; S333-E337 WeakPolarHBondContact O-CB 3.36Å; S333-E337 VanDerWaalsContact O-CG 3.27Å; S333-E337 WeakPolarHBondContact O-CG 3.3Å; S333-E337 PolarHBondContact O-N 3.3Å
334T85.8Confident89.5Confident78 Ų78104.4 Ų104.448%0.47950%0.503SS..Hα-helixtrans-60.9-28.4178.250.50000114.2Q330 L331 P338Q330-T334 WeakPolarHBondContact O-CG2 3.42Å; Q330-T334 PolarHBondContact O-N 2.94Å; Q330-T334 PolarHBondContact O-OG1 3.4Å; L331-T334 WeakPolarHBondContact CA-OG1 3.3Å; L331-T334 PolarHBondContact O-OG1 3.37Å; T334-P338 VanDerWaalsContact O-CD 3.24Å; T334-P338 WeakPolarHBondContact O-CD 3.29Å
335R85.8Confident89.6Confident180 Ų180102.3 Ų102.368%0.67950%0.499SS*.Hα-helixtrans-84.2-34.7174.9-69.1-178.1-164.9178.55.8113.5L331 S332 S333L331-R335 WeakPolarHBondContact O-CG 3.43Å; L331-R335 PolarHBondContact O-N 3.37Å; S332-R335 PolarHBondContact O-N 3.23Å; S333-R335 PolarHBondContact O-N 2.83Å
336I90.2Very high89.9Confident94 Ų94103.4 Ų103.448%0.48250%0.497SS..Hα-helixtrans-81.4-37.5-175.4-70.1167.5000111.4S332 S333 I339 R340S332-I336 WeakPolarHBondContact O-CB 3.45Å; S332-I336 VanDerWaalsContact O-CG1 3.26Å; S332-I336 WeakPolarHBondContact O-CG1 3.3Å; S332-I336 PolarHBondContact O-N 3.35Å; S333-I336 PolarHBondContact O-N 3.44Å; S333-I336 VanDerWaalsContact O-N 3.17Å; I336-I339 PolarHBondContact O-N 3.09Å; I336-I339 VanDerWaalsContact O-N 3.15Å; I336-R340 WeakPolarHBondContact O-CB 3.41Å; I336-R340 PolarHBondContact O-N 3.21Å
337E86.4Confident90.2Very high78 Ų78101.2 Ų101.236%0.36449%0.491SS..Hα-helixtrans-58.2-41.3-175.3-74.8-56.1128.700114.5S333 R340 K341S333-E337 WeakPolarHBondContact O-CB 3.36Å; S333-E337 VanDerWaalsContact O-CG 3.27Å; S333-E337 WeakPolarHBondContact O-CG 3.3Å; S333-E337 PolarHBondContact O-N 3.3Å; E337-R340 PolarHBondContact O-N 3.23Å; E337-K341 WeakPolarHBondContact O-CG 3.43Å; E337-K341 PolarHBondContact O-N 3.3Å
338P88.5Confident90.4Very high75 Ų75102.1 Ų102.149%0.48750%0.496SS..Hα-helixtrans-61.6-46173.8-23.134.1000112.5T334 R340 K341 E342T334-P338 VanDerWaalsContact O-CD 3.24Å; T334-P338 WeakPolarHBondContact O-CD 3.29Å; P338-R340 VanDerWaalsContact C-N 3.31Å; P338-R340 PolarHBondContact O-N 3.33Å; P338-K341 PolarHBondContact O-N 3.34Å; P338-E342 PolarHBondContact O-N 3.32Å
339I90.6Very high90.8Very high111 Ų111100.5 Ų100.557%0.56949%0.493SS*.Hα-helixtrans-64.1-39.3179.3-59.4172.6000110.1I336 E342 L343I336-I339 PolarHBondContact O-N 3.09Å; I336-I339 VanDerWaalsContact O-N 3.15Å; I339-E342 PolarHBondContact O-N 2.72Å; I339-L343 VanDerWaalsContact O-CB 3.3Å; I339-L343 WeakPolarHBondContact O-CB 3.42Å; I339-L343 PolarHBondContact O-N 2.96Å
340R92Very high91.2Very high144 Ų14499.2 Ų99.254%0.54349%0.492SS..Hα-helixtrans-62.1-43.5176.1-176.5-178.3166.9842.6111.4I336 E337 P338 L343 L344I336-R340 WeakPolarHBondContact O-CB 3.41Å; I336-R340 PolarHBondContact O-N 3.21Å; E337-R340 PolarHBondContact O-N 3.23Å; P338-R340 VanDerWaalsContact C-N 3.31Å; P338-R340 PolarHBondContact O-N 3.33Å; R340-L343 PolarHBondContact O-N 3.43Å; R340-L344 HydrophobicContact CG-CD1 4.49Å; R340-L344 VanDerWaalsContact O-CG 3.29Å; R340-L344 WeakPolarHBondContact O-CG 3.42Å; R340-L344 PolarHBondContact O-N 2.91Å
341K92.3Very high91.6Very high151 Ų15198 Ų9866%0.65749%0.493SS*.Hα-helixtrans-65.3-42.1176.2-73.2177.5-177.9179.20112.1E337 P338 L344 S345E337-K341 WeakPolarHBondContact O-CG 3.43Å; E337-K341 PolarHBondContact O-N 3.3Å; P338-K341 PolarHBondContact O-N 3.34Å; K341-L344 PolarHBondContact O-N 2.81Å; K341-S345 PolarHBondContact O-N 2.94Å; K341-S345 VanDerWaalsContact O-N 3.1Å
342E92.8Very high92.1Very high95 Ų9598.2 Ų98.244%0.44449%0.492SS..Hα-helixtrans-64.8-42.7176.5-156.6-168.6161.800111.5P338 I339 L344 S345 Y346P338-E342 PolarHBondContact O-N 3.32Å; I339-E342 PolarHBondContact O-N 2.72Å; E342-L344 VanDerWaalsContact C-N 3.31Å; E342-L344 PolarHBondContact O-N 3.31Å; E342-S345 PolarHBondContact O-N 3.2Å; E342-S345 PolarHBondContact O-OG 3.35Å; E342-Y346 HydrophobicContact CB-CE2 4.49Å; E342-Y346 HydrophobicContact CG-CD2 4.22Å; E342-Y346 HydrophobicContact CG-CE2 3.53Å; E342-Y346 WeakPolarHBondContact O-CD2 3.46Å; E342-Y346 PolarHBondContact O-N 3.02Å; E342-Y346 VanDerWaalsContact OE1-CE2 3.26Å; E342-Y346 WeakPolarHBondContact OE1-CE2 3.49Å; E342-Y346 PolarHBondContact OE1-OH 3.26Å
343L94.7Very high92.6Very high110 Ų110101.5 Ų101.558%0.57651%0.505SS*.Hα-helixtrans-60.7-41.6175.3-174.766.7000111.6I339 R340 S345 Y346 V347I339-L343 VanDerWaalsContact O-CB 3.3Å; I339-L343 WeakPolarHBondContact O-CB 3.42Å; I339-L343 PolarHBondContact O-N 2.96Å; R340-L343 PolarHBondContact O-N 3.43Å; L343-S345 VanDerWaalsContact C-N 3.34Å; L343-S345 PolarHBondContact O-N 3.48Å; L343-Y346 PolarHBondContact O-N 3.43Å; L343-V347 VanDerWaalsContact O-CG2 3.3Å; L343-V347 WeakPolarHBondContact O-CG2 3.26Å; L343-V347 PolarHBondContact O-N 3.06Å
344L94.2Very high93.3Very high94 Ų94105.6 Ų105.649%0.49252%0.517SS..Hα-helixtrans-63.9-37.4176.9-73.8170.8000112.4R340 K341 E342 V347 Q348R340-L344 HydrophobicContact CG-CD1 4.49Å; R340-L344 VanDerWaalsContact O-CG 3.29Å; R340-L344 WeakPolarHBondContact O-CG 3.42Å; R340-L344 PolarHBondContact O-N 2.91Å; K341-L344 PolarHBondContact O-N 2.81Å; E342-L344 VanDerWaalsContact C-N 3.31Å; E342-L344 PolarHBondContact O-N 3.31Å; L344-V347 PolarHBondContact O-N 2.94Å; L344-Q348 WeakPolarHBondContact O-CG 3.42Å; L344-Q348 PolarHBondContact O-N 3.46Å
345S94Very high93.8Very high60 Ų60109.1 Ų109.142%0.4252%0.522SS..Hα-helixtrans-68.2-39.7176.371.70000111.8K341 E342 L343 Q348 L349K341-S345 PolarHBondContact O-N 2.94Å; K341-S345 VanDerWaalsContact O-N 3.1Å; E342-S345 PolarHBondContact O-N 3.2Å; E342-S345 PolarHBondContact O-OG 3.35Å; L343-S345 VanDerWaalsContact C-N 3.34Å; L343-S345 PolarHBondContact O-N 3.48Å; S345-Q348 PolarHBondContact O-N 3.1Å; S345-L349 WeakPolarHBondContact O-CB 3.12Å; S345-L349 PolarHBondContact O-N 3.38Å
346Y95.9Very high94.4Very high123 Ų123103.8 Ų103.848%0.48251%0.507SS..Hα-helixtrans-63.5-40.9173.6-69.1-54.1000112.5E342 L343 Q348 L349 L350E342-Y346 HydrophobicContact CB-CE2 4.49Å; E342-Y346 HydrophobicContact CG-CD2 4.22Å; E342-Y346 HydrophobicContact CG-CE2 3.53Å; E342-Y346 WeakPolarHBondContact O-CD2 3.46Å; E342-Y346 PolarHBondContact O-N 3.02Å; E342-Y346 VanDerWaalsContact OE1-CE2 3.26Å; E342-Y346 WeakPolarHBondContact OE1-CE2 3.49Å; E342-Y346 PolarHBondContact OE1-OH 3.26Å; L343-Y346 PolarHBondContact O-N 3.43Å; Y346-Q348 VanDerWaalsContact C-N 3.33Å; Y346-Q348 PolarHBondContact O-N 2.94Å; Y346-L349 PolarHBondContact O-N 3.43Å; Y346-L350 WeakPolarHBondContact O-CB 3.36Å; Y346-L350 WeakPolarHBondContact O-CG 3.48Å; Y346-L350 PolarHBondContact O-N 3.41Å
347V96.5Very high94.7Very high76 Ų76104.7 Ų104.746%0.46151%0.512SS..Hα-helixtrans-62.2-41.9175.8170.20000111.1L343 L344 L350 T351L343-V347 VanDerWaalsContact O-CG2 3.3Å; L343-V347 WeakPolarHBondContact O-CG2 3.26Å; L343-V347 PolarHBondContact O-N 3.06Å; L344-V347 PolarHBondContact O-N 2.94Å; V347-L350 PolarHBondContact O-N 2.74Å; V347-T351 WeakPolarHBondContact O-CB 3.41Å; V347-T351 PolarHBondContact O-N 3.43Å; V347-T351 PolarHBondContact O-OG1 3.04Å
348Q95.4Very high95.2Very high142 Ų142104.2 Ų104.266%0.66451%0.512SS*.Hα-helixtrans-63-44.7175-74.3176.7-13.500111.9L344 S345 Y346 L350 T351 E352L344-Q348 WeakPolarHBondContact O-CG 3.42Å; L344-Q348 PolarHBondContact O-N 3.46Å; S345-Q348 PolarHBondContact O-N 3.1Å; Y346-Q348 VanDerWaalsContact C-N 3.33Å; Y346-Q348 PolarHBondContact O-N 2.94Å; Q348-L350 PolarHBondContact O-N 3.23Å; Q348-T351 WeakPolarHBondContact O-CB 3.46Å; Q348-T351 PolarHBondContact O-N 3.5Å; Q348-E352 PolarHBondContact O-N 2.99Å
349L96.8Very high95.6Very high103 Ų103107.2 Ų107.254%0.53952%0.518SS..Hα-helixtrans-60.6-46.3177.5-179.263.1000111.8S345 Y346 T351 E352 M353S345-L349 WeakPolarHBondContact O-CB 3.12Å; S345-L349 PolarHBondContact O-N 3.38Å; Y346-L349 PolarHBondContact O-N 3.43Å; L349-T351 VanDerWaalsContact C-N 3.3Å; L349-T351 PolarHBondContact O-N 3.49Å; L349-E352 PolarHBondContact O-N 3.06Å; L349-M353 HydrophobicContact CG-SD 4.42Å; L349-M353 WeakPolarHBondContact O-CG 3.37Å; L349-M353 PolarHBondContact O-N 3.48Å
350L96.8Very high96Very high115 Ų115106.2 Ų106.260%0.60251%0.513SS*.Hα-helixtrans-61.8-39.4176.5-74.9170000111.9Y346 V347 Q348 M353 K354Y346-L350 WeakPolarHBondContact O-CB 3.36Å; Y346-L350 WeakPolarHBondContact O-CG 3.48Å; Y346-L350 PolarHBondContact O-N 3.41Å; V347-L350 PolarHBondContact O-N 2.74Å; Q348-L350 PolarHBondContact O-N 3.23Å; L350-M353 PolarHBondContact O-N 2.98Å; L350-K354 WeakPolarHBondContact O-CB 3.26Å; L350-K354 PolarHBondContact O-N 3.35Å
351T97.1Very high96.2Very high88 Ų88106.3 Ų106.354%0.5451%0.514SS..Hα-helixtrans-64.3-42176.9-56.60000111.2V347 Q348 L349 K354 R355V347-T351 WeakPolarHBondContact O-CB 3.41Å; V347-T351 PolarHBondContact O-N 3.43Å; V347-T351 PolarHBondContact O-OG1 3.04Å; Q348-T351 WeakPolarHBondContact O-CB 3.46Å; Q348-T351 PolarHBondContact O-N 3.5Å; L349-T351 VanDerWaalsContact C-N 3.3Å; L349-T351 PolarHBondContact O-N 3.49Å; T351-K354 PolarHBondContact O-N 3.25Å; T351-R355 PolarHBondContact O-N 2.93Å
352E97.2Very high96.4Very high75 Ų75103.7 Ų103.735%0.3551%0.507SS..Hα-helixtrans-68.2-42.2177.1-179.555-154.500112.1Q348 L349 K354 R355 N356Q348-E352 PolarHBondContact O-N 2.99Å; L349-E352 PolarHBondContact O-N 3.06Å; E352-K354 VanDerWaalsContact C-N 3.32Å; E352-K354 PolarHBondContact O-N 3.5Å; E352-R355 WeakPolarHBondContact O-CB 3.41Å; E352-R355 PolarHBondContact O-N 2.85Å; E352-R355 IonicContact OE1-CZ 3.51Å; E352-R355 IonicContact OE1-NE 2.64Å; E352-R355 PolarHBondContact OE1-NE 3.25Å; E352-R355 IonicContact OE1-NH2 2.71Å; E352-R355 PolarHBondContact OE1-NH2 3.4Å; E352-R355 IonicContact OE2-CZ 2.86Å; E352-R355 IonicContact OE2-NE 3.45Å; E352-R355 PolarHBondContact OE2-NE 3.29Å; E352-R355 IonicContact OE2-NH2 3.33Å; E352-R355 PolarHBondContact OE2-NH2 2.88Å; E352-N356 PolarHBondContact O-N 3.31Å; E352-N356 PolarHBondContact O-ND2 3.48Å; E352-N356 PolarHBondContact OE1-ND2 3.18Å; E352-N356 VanDerWaalsContact OE1-ND2 3.08Å; E352-N356 PolarHBondContact OE1-OD1 3.08Å
353M97.9Very high96.6Very high101 Ų101105 Ų10550%0.49851%0.508SS..Hα-helixtrans-59.5-43.5173.4-74.4-179.263.200111.7L349 L350 R355 N356 L357L349-M353 HydrophobicContact CG-SD 4.42Å; L349-M353 WeakPolarHBondContact O-CG 3.37Å; L349-M353 PolarHBondContact O-N 3.48Å; L350-M353 PolarHBondContact O-N 2.98Å; M353-R355 VanDerWaalsContact C-N 3.34Å; M353-R355 PolarHBondContact O-N 3.4Å; M353-N356 PolarHBondContact O-N 3Å; M353-L357 WeakPolarHBondContact O-CG 3.36Å; M353-L357 PolarHBondContact O-N 2.89Å
354K97.7Very high96.7Very high124 Ų124104.9 Ų104.954%0.53951%0.507SS..Hα-helixtrans-58.8-46.9174.6-174.7-171.9178.5-62.50110.9L350 T351 E352 N356 L357 D358L350-K354 WeakPolarHBondContact O-CB 3.26Å; L350-K354 PolarHBondContact O-N 3.35Å; T351-K354 PolarHBondContact O-N 3.25Å; E352-K354 VanDerWaalsContact C-N 3.32Å; E352-K354 PolarHBondContact O-N 3.5Å; K354-N356 VanDerWaalsContact C-N 3.32Å; K354-N356 PolarHBondContact O-N 2.71Å; K354-L357 PolarHBondContact O-N 3.19Å; K354-D358 IonicContact NZ-OD1 3.84Å; K354-D358 IonicContact NZ-OD2 2.95Å; K354-D358 PolarHBondContact NZ-OD2 3.35Å; K354-D358 WeakPolarHBondContact O-CB 3.49Å; K354-D358 VanDerWaalsContact O-CG 3.32Å; K354-D358 PolarHBondContact O-N 3.45Å
355R97.7Very high96.8Very high153 Ų153106.9 Ų106.958%0.57751%0.508SS*.Hα-helixtrans-58.3-42.7177.6-169.8-178.575.3954.5112.1T351 E352 M353 D358 F359T351-R355 PolarHBondContact O-N 2.93Å; E352-R355 WeakPolarHBondContact O-CB 3.41Å; E352-R355 PolarHBondContact O-N 2.85Å; E352-R355 IonicContact OE1-CZ 3.51Å; E352-R355 IonicContact OE1-NE 2.64Å; E352-R355 PolarHBondContact OE1-NE 3.25Å; E352-R355 IonicContact OE1-NH2 2.71Å; E352-R355 PolarHBondContact OE1-NH2 3.4Å; E352-R355 IonicContact OE2-CZ 2.86Å; E352-R355 IonicContact OE2-NE 3.45Å; E352-R355 PolarHBondContact OE2-NE 3.29Å; E352-R355 IonicContact OE2-NH2 3.33Å; E352-R355 PolarHBondContact OE2-NH2 2.88Å; M353-R355 VanDerWaalsContact C-N 3.34Å; M353-R355 PolarHBondContact O-N 3.4Å; R355-D358 PolarHBondContact O-N 3.37Å; R355-F359 WeakPolarHBondContact O-CB 3.37Å; R355-F359 PolarHBondContact O-N 3.41Å
356N97.3Very high96.8Very high68 Ų68109.7 Ų109.736%0.36451%0.513SS..Hα-helixtrans-67.3-41.2177.8-71.9-36000112.3E352 M353 K354 F359 I360E352-N356 PolarHBondContact O-N 3.31Å; E352-N356 PolarHBondContact O-ND2 3.48Å; E352-N356 PolarHBondContact OE1-ND2 3.18Å; E352-N356 VanDerWaalsContact OE1-ND2 3.08Å; E352-N356 PolarHBondContact OE1-OD1 3.08Å; M353-N356 PolarHBondContact O-N 3Å; K354-N356 VanDerWaalsContact C-N 3.32Å; K354-N356 PolarHBondContact O-N 2.71Å; N356-F359 WeakPolarHBondContact O-CB 3.42Å; N356-F359 PolarHBondContact O-N 3.47Å; N356-I360 VanDerWaalsContact O-CG1 3.31Å; N356-I360 WeakPolarHBondContact O-CG1 3.42Å; N356-I360 PolarHBondContact O-N 3.2Å
357L97.7Very high96.8Very high112 Ų112109.5 Ų109.559%0.58651%0.512SS*.Hα-helixtrans-64.2-43.8174.4-74.3176000112M353 K354 F359 I360 Y361M353-L357 WeakPolarHBondContact O-CG 3.36Å; M353-L357 PolarHBondContact O-N 2.89Å; K354-L357 PolarHBondContact O-N 3.19Å; L357-F359 VanDerWaalsContact C-N 3.28Å; L357-F359 PolarHBondContact O-N 2.94Å; L357-I360 PolarHBondContact O-N 2.92Å; L357-Y361 VanDerWaalsContact O-CB 3.26Å; L357-Y361 WeakPolarHBondContact O-CB 3.31Å; L357-Y361 PolarHBondContact O-N 3.25Å
358D96.9Very high96.7Very high69 Ų69113.7 Ų113.737%0.36952%0.524SS..Hα-helixtrans-59.6-40.6175.1-71.9-31.8000110.9K354 R355 N362K354-D358 IonicContact NZ-OD1 3.84Å; K354-D358 IonicContact NZ-OD2 2.95Å; K354-D358 PolarHBondContact NZ-OD2 3.35Å; K354-D358 WeakPolarHBondContact O-CB 3.49Å; K354-D358 VanDerWaalsContact O-CG 3.32Å; K354-D358 PolarHBondContact O-N 3.45Å; R355-D358 PolarHBondContact O-N 3.37Å; D358-N362 WeakPolarHBondContact O-CB 3.49Å; D358-N362 PolarHBondContact O-N 2.89Å; D358-N362 PolarHBondContact O-ND2 2.95Å
359F97.2Very high96.6Very high138 Ų138111.4 Ų111.461%0.60551%0.513SS*.Hα-helixtrans-63.8-48.9175.7179.4-95.5000112.6R355 N356 L357 N362 R363R355-F359 WeakPolarHBondContact O-CB 3.37Å; R355-F359 PolarHBondContact O-N 3.41Å; N356-F359 WeakPolarHBondContact O-CB 3.42Å; N356-F359 PolarHBondContact O-N 3.47Å; L357-F359 VanDerWaalsContact C-N 3.28Å; L357-F359 PolarHBondContact O-N 2.94Å; F359-N362 PolarHBondContact O-N 2.98Å; F359-R363 WeakPolarHBondContact O-CB 3.33Å; F359-R363 PolarHBondContact O-N 3.41Å
360I97.4Very high96.4Very high90 Ų90110.3 Ų110.346%0.46251%0.506SS..Hα-helixtrans-61.2-46.2178.1-68.6165.7000110.2N356 L357 N362 R363 I364N356-I360 VanDerWaalsContact O-CG1 3.31Å; N356-I360 WeakPolarHBondContact O-CG1 3.42Å; N356-I360 PolarHBondContact O-N 3.2Å; L357-I360 PolarHBondContact O-N 2.92Å; I360-N362 PolarHBondContact O-N 3.45Å; I360-R363 PolarHBondContact O-N 2.94Å; I360-I364 HydrophobicContact CG2-CD1 3.67Å; I360-I364 HydrophobicContact CG2-CG1 4.32Å; I360-I364 WeakPolarHBondContact O-CG1 3.46Å; I360-I364 PolarHBondContact O-N 3.44Å
361Y97.1Very high96.1Very high146 Ų146108.9 Ų108.957%0.57351%0.505SS*.Hα-helixtrans-58.4-48.5178.5179-99000111.8L357 R363 I364 R365L357-Y361 VanDerWaalsContact O-CB 3.26Å; L357-Y361 WeakPolarHBondContact O-CB 3.31Å; L357-Y361 PolarHBondContact O-N 3.25Å; Y361-R363 VanDerWaalsContact C-N 3.31Å; Y361-R363 PolarHBondContact O-N 2.96Å; Y361-I364 PolarHBondContact O-N 3.33Å; Y361-R365 WeakPolarHBondContact O-CB 3.39Å; Y361-R365 PolarHBondContact O-N 3.32Å
362N96.7Very high95.8Very high96 Ų96107.3 Ų107.351%0.51350%0.501SS..Hα-helixtrans-62.9-37.6177.3-73.8-31000112.2D358 F359 I360 K366D358-N362 WeakPolarHBondContact O-CB 3.49Å; D358-N362 PolarHBondContact O-N 2.89Å; D358-N362 PolarHBondContact O-ND2 2.95Å; F359-N362 PolarHBondContact O-N 2.98Å; I360-N362 PolarHBondContact O-N 3.45Å; N362-K366 PolarHBondContact O-N 3.11Å
363R96.4Very high95.4Very high121 Ų121109.6 Ų109.646%0.45751%0.511SS..Hα-helixtrans-66.7-45.9177.3-168.372.7-178.2-172.61111.7F359 I360 Y361 R365 K366 Y367F359-R363 WeakPolarHBondContact O-CB 3.33Å; F359-R363 PolarHBondContact O-N 3.41Å; I360-R363 PolarHBondContact O-N 2.94Å; Y361-R363 VanDerWaalsContact C-N 3.31Å; Y361-R363 PolarHBondContact O-N 2.96Å; R363-R365 VanDerWaalsContact C-N 3.34Å; R363-K366 PolarHBondContact O-N 3.14Å; R363-Y367 HydrophobicContact CG-CD2 3.96Å; R363-Y367 HydrophobicContact CG-CE2 3.62Å; R363-Y367 VanDerWaalsContact NE-CE2 3.34Å; R363-Y367 PolarHBondContact NE-OH 2.83Å; R363-Y367 PolarHBondContact NH2-OH 3.31Å; R363-Y367 WeakPolarHBondContact O-CD2 3.5Å; R363-Y367 PolarHBondContact O-N 3.38Å
364I96.7Very high94.7Very high108 Ų108111.4 Ų111.455%0.55452%0.517SS*.Hα-helixtrans-60.9-44.7176.4-69169.8000110.3I360 Y361 K366 Y367 K368I360-I364 HydrophobicContact CG2-CD1 3.67Å; I360-I364 HydrophobicContact CG2-CG1 4.32Å; I360-I364 WeakPolarHBondContact O-CG1 3.46Å; I360-I364 PolarHBondContact O-N 3.44Å; Y361-I364 PolarHBondContact O-N 3.33Å; I364-K366 PolarHBondContact O-N 2.71Å; I364-Y367 PolarHBondContact O-N 3.3Å; I364-K368 PolarHBondContact O-N 2.73Å
365R95.9Very high93.9Very high137 Ų137109.4 Ų109.452%0.51752%0.519SS..Hα-helixtrans-58.1-46.8177.3-175.6176.2-178.5158.65.8111.9Y361 R363 Y367 K368 E369Y361-R365 WeakPolarHBondContact O-CB 3.39Å; Y361-R365 PolarHBondContact O-N 3.32Å; R363-R365 VanDerWaalsContact C-N 3.34Å; R365-Y367 PolarHBondContact O-N 3.02Å; R365-K368 WeakPolarHBondContact O-CB 3.35Å; R365-K368 PolarHBondContact O-N 2.98Å; R365-E369 WeakPolarHBondContact CG-OE1 3.48Å; R365-E369 IonicContact NE-OE1 3.68Å; R365-E369 PolarHBondContact NE-OE1 3.17Å; R365-E369 WeakPolarHBondContact O-CG 3.44Å; R365-E369 PolarHBondContact O-N 3.04Å
366K95Very high92.9Very high118 Ų118106.7 Ų106.751%0.51352%0.523SS..Hα-helixtrans-60.8-43.1176.4-173.1174.6-177.2172.50112.5N362 R363 I364 K368 E369 M370N362-K366 PolarHBondContact O-N 3.11Å; R363-K366 PolarHBondContact O-N 3.14Å; I364-K366 PolarHBondContact O-N 2.71Å; K366-K368 VanDerWaalsContact C-N 3.33Å; K366-K368 PolarHBondContact O-N 3.47Å; K366-E369 PolarHBondContact O-N 3.35Å; K366-M370 HydrophobicContact CG-SD 4.42Å; K366-M370 WeakPolarHBondContact O-CG 3.45Å; K366-M370 PolarHBondContact O-N 3.47Å
367Y94.8Very high91.6Very high119 Ų119111.5 Ų111.547%0.46754%0.543SS..Hα-helixtrans-64.1-38.1175.6-79.6-61.8000112.4R363 I364 R365 M370 C371R363-Y367 HydrophobicContact CG-CD2 3.96Å; R363-Y367 HydrophobicContact CG-CE2 3.62Å; R363-Y367 VanDerWaalsContact NE-CE2 3.34Å; R363-Y367 PolarHBondContact NE-OH 2.83Å; R363-Y367 PolarHBondContact NH2-OH 3.31Å; R363-Y367 WeakPolarHBondContact O-CD2 3.5Å; R363-Y367 PolarHBondContact O-N 3.38Å; I364-Y367 PolarHBondContact O-N 3.3Å; R365-Y367 PolarHBondContact O-N 3.02Å; Y367-M370 PolarHBondContact O-N 3.49Å; Y367-C371 PolarHBondContact O-N 3.19Å; Y367-C371 PolarHBondContact O-SG 3.42Å
368K94.6Very high89.9Confident164 Ų164113.7 Ų113.771%0.71357%0.568SS**Hα-helixtrans-63.1-42.2176.1-173.4-179.1176-176.80111.8I364 R365 K366 C371 A372I364-K368 PolarHBondContact O-N 2.73Å; R365-K368 WeakPolarHBondContact O-CB 3.35Å; R365-K368 PolarHBondContact O-N 2.98Å; K366-K368 VanDerWaalsContact C-N 3.33Å; K366-K368 PolarHBondContact O-N 3.47Å; K368-C371 PolarHBondContact O-N 3.04Å; K368-A372 PolarHBondContact O-N 3.34Å; K368-A372 VanDerWaalsContact O-N 3.11Å
369E94.1Very high89.5Confident94 Ų94115.9 Ų115.944%0.43958%0.578SS.*Hα-helixtrans-62-48.5175.3-71.2163.2-175.800111R365 K366 C371 A372 E373R365-E369 WeakPolarHBondContact CG-OE1 3.48Å; R365-E369 IonicContact NE-OE1 3.68Å; R365-E369 PolarHBondContact NE-OE1 3.17Å; R365-E369 WeakPolarHBondContact O-CG 3.44Å; R365-E369 PolarHBondContact O-N 3.04Å; K366-E369 PolarHBondContact O-N 3.35Å; E369-C371 VanDerWaalsContact C-N 3.34Å; E369-C371 PolarHBondContact O-N 3.05Å; E369-A372 WeakPolarHBondContact O-CB 3.46Å; E369-A372 PolarHBondContact O-N 3.14Å; E369-A372 VanDerWaalsContact O-N 3.14Å; E369-E373 WeakPolarHBondContact O-CG 3.17Å; E369-E373 PolarHBondContact O-N 3.33Å; E369-E373 VanDerWaalsContact O-N 3.08Å
370M92.7Very high89.1Confident80 Ų80114.7 Ų114.739%0.39458%0.576SS.*Hα-helixtrans-61.7-36.4177.3-69.2175.865.600113.8K366 Y367 K374K366-M370 HydrophobicContact CG-SD 4.42Å; K366-M370 WeakPolarHBondContact O-CG 3.45Å; K366-M370 PolarHBondContact O-N 3.47Å; Y367-M370 PolarHBondContact O-N 3.49Å; M370-K374 WeakPolarHBondContact O-CG 3.49Å; M370-K374 PolarHBondContact O-N 3.08Å
371C90.4Very high88.7Confident86 Ų86116.1 Ų116.158%0.58158%0.583SS**Hα-helixtrans-70.1-35.6176.2-72.20000112Y367 K368 E369 S375Y367-C371 PolarHBondContact O-N 3.19Å; Y367-C371 PolarHBondContact O-SG 3.42Å; K368-C371 PolarHBondContact O-N 3.04Å; E369-C371 VanDerWaalsContact C-N 3.34Å; E369-C371 PolarHBondContact O-N 3.05Å; C371-S375 PolarHBondContact O-N 2.73Å; C371-S375 VanDerWaalsContact O-N 3.17Å; C371-S375 PolarHBondContact O-OG 3.5Å
372A90.4Very high88.2Confident54 Ų54114.4 Ų114.445%0.44658%0.583SS.*Hα-helixtrans-66.1-42.5176.400000111.7K368 E369 S375 S376K368-A372 PolarHBondContact O-N 3.34Å; K368-A372 VanDerWaalsContact O-N 3.11Å; E369-A372 WeakPolarHBondContact O-CB 3.46Å; E369-A372 PolarHBondContact O-N 3.14Å; E369-A372 VanDerWaalsContact O-N 3.14Å; A372-S375 WeakPolarHBondContact CA-OG 3.47Å; A372-S375 PolarHBondContact O-N 3.2Å; A372-S375 PolarHBondContact O-OG 2.87Å; A372-S376 PolarHBondContact O-N 3.35Å; A372-S376 PolarHBondContact O-OG 3.29Å
373E88.3Confident87.6Confident123 Ų123115.5 Ų115.558%0.57559%0.587SS**Hα-helixtrans-60.4-45.9176.2-70.5169.9176.400112.1E369 S375 S376 E377E369-E373 WeakPolarHBondContact O-CG 3.17Å; E369-E373 PolarHBondContact O-N 3.33Å; E369-E373 VanDerWaalsContact O-N 3.08Å; E373-S375 VanDerWaalsContact C-N 3.3Å; E373-S375 PolarHBondContact O-N 3.36Å; E373-S376 PolarHBondContact O-N 3.47Å; E373-S376 VanDerWaalsContact O-N 3.14Å; E373-S376 PolarHBondContact O-OG 3.49Å; E373-E377 PolarHBondContact O-N 3.26Å
374K84.2Confident87.1Confident139 Ų139115.1 Ų115.160%0.60460%0.596SS**Hα-helixtrans-63-34.8176.7-73.8-176.6177.1-172.50113.4M370 S376 E377 S378M370-K374 WeakPolarHBondContact O-CG 3.49Å; M370-K374 PolarHBondContact O-N 3.08Å; K374-S376 VanDerWaalsContact C-N 3.29Å; K374-E377 PolarHBondContact O-N 3.5Å; K374-S378 PolarHBondContact O-N 3.26Å; K374-S378 PolarHBondContact O-OG 2.95Å
375S79.7Confident86.4Confident83 Ų83115.6 Ų115.658%0.5860%0.599SS**Hα-helixtrans-74.7-16.2177.261.70000114C371 A372 E373C371-S375 PolarHBondContact O-N 2.73Å; C371-S375 VanDerWaalsContact O-N 3.17Å; C371-S375 PolarHBondContact O-OG 3.5Å; A372-S375 WeakPolarHBondContact CA-OG 3.47Å; A372-S375 PolarHBondContact O-N 3.2Å; A372-S375 PolarHBondContact O-OG 2.87Å; E373-S375 VanDerWaalsContact C-N 3.3Å; E373-S375 PolarHBondContact O-N 3.36Å
376S77.2Confident85.6Confident95 Ų95114 Ų11466%0.66461%0.606SS**Hα-helixtrans-90.6-16173.749.20000114.2A372 E373 K374A372-S376 PolarHBondContact O-N 3.35Å; A372-S376 PolarHBondContact O-OG 3.29Å; E373-S376 PolarHBondContact O-N 3.47Å; E373-S376 VanDerWaalsContact O-N 3.14Å; E373-S376 PolarHBondContact O-OG 3.49Å; K374-S376 VanDerWaalsContact C-N 3.29Å
377E69.4Low84.9Confident169 Ų169113.7 Ų113.779%0.7961%0.613SS**Hα-helixtrans-93.7-13.2177-72.8179.8156.300113.7E373 K374E373-E377 PolarHBondContact O-N 3.26Å; K374-E377 PolarHBondContact O-N 3.5Å
378S62.6Low84Confident158 Ų158113.2 Ų113.2100%1.10563%0.627SS**  trans-97.80172.9-54.30000110.5K374K374-S378 PolarHBondContact O-N 3.26Å; K374-S378 PolarHBondContact O-OG 2.95Å

Retrieved 378 of 378 residues in 166.5 ms (Link to these results)